Geometry & MOs

Info

ID:	328678
PubChem CID:	126726512
Reduced:	FON3H18C23 (1)
Stoich.:	ABC3D18E23 (1)
Weight, g/mol:	436.189926
ΔH_f, kcal/mol:	39.07
Dipole, Da:	6.4
IP(EA), eV:	-9.54(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanocyclopropyl)-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C(=CC(=C2)C#N)F)N=C1C(C3=CC=CC=C3)(C4=CC=CC=C4)O

DOS

IR

Vibrations