Geometry & MOs

Info

ID:	226031
PubChem CID:	87246646
Reduced:	ClN3O4H18C19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	776.32714
ΔH_f, kcal/mol:	-36.96
Dipole, Da:	3.6
IP(EA), eV:	-9.0(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4,5-dihydro-1H-imidazole;4-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-5-propyl-4,5-dihydro-1H-imidazole

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

COC(=O)N(C1=CC=CC=C1COC2=C(C=CC(=C2)N3C=CC=N3)Cl)OC

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

COC(=O)N(C1=CC=CC=C1COC2=C(C=CC(=C2)N3C=CC=N3)Cl)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):