Geometry & MOs

Info

ID:	378118
PubChem CID:	134224190
Reduced:	O4F6N7H29C32 (1)
Stoich.:	A4B6C7D29E32 (1)
Weight, g/mol:	673.187221
ΔH_f, kcal/mol:	-336.68
Dipole, Da:	5.26
IP(EA), eV:	-8.5(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[6-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyridin-3-yl]oxy-N-[2-[6-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyridin-3-yl]oxyethyl]ethanamine

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

CC1(NC2=C(N1)C=C(C=C2)OC(F)(F)F)C3=NC=C(C=C3)OCCN(C)CCOC4=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

CC1(NC2=C(N1)C=C(C=C2)OC(F)(F)F)C3=NC=C(C=C3)OCCN(C)CCOC4=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):