Geometry & MOs

Info

ID:	378253
PubChem CID:	134224329
Reduced:	O5F6N6H24C30 (1)
Stoich.:	A5B6C6D24E30 (1)
Weight, g/mol:	692.218187
ΔH_f, kcal/mol:	-370.73
Dipole, Da:	7.84
IP(EA), eV:	-8.62(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[5-[2-[2-[6-[2-methyl-5-(trifluoromethoxy)-1,3-dihydrobenzimidazol-2-yl]pyridin-3-yl]oxyethoxy]ethoxy]pyridin-2-yl]-5-(trifluoromethoxy)-1,3-dihydrobenzimidazole

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC2=C(C=C1OC(F)(F)F)NC(N2)C3=NC=C(C=C3)OCCOCCOC4=CN=C(C=C4)C5=NC6=C(N5)C=C(C=C6)OC(F)(F)F

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC2=C(C=C1OC(F)(F)F)NC(N2)C3=NC=C(C=C3)OCCOCCOC4=CN=C(C=C4)C5=NC6=C(N5)C=C(C=C6)OC(F)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):