Geometry & MOs

Info

ID:	297775
PubChem CID:	117630367
Reduced:	N4O4C25H26 (1)
Stoich.:	A4B4C25D26 (1)
Weight, g/mol:	375.148396
ΔH_f, kcal/mol:	-29.82
Dipole, Da:	4.0
IP(EA), eV:	-8.35(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(1H-benzimidazol-2-ylmethyl)phenyl]-2-(1H-imidazol-2-yl)benzonitrile

Drug info:

PubChemData

Smile

CC(C)N(CC1=CC=CC=C1OCC2=CN(N=N2)CC(=O)O)C3=CC=C(C=C3)C4=CC=CO4

DOS

IR

Vibrations