Geometry & MOs

Info

ID:	162582
PubChem CID:	57395142
Reduced:	OCl2N2H28C46 (1)
Stoich.:	AB2C2D28E46 (1)
Weight, g/mol:	436.178693
ΔH_f, kcal/mol:	166.8
Dipole, Da:	2.14
IP(EA), eV:	-8.8(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(3,4,5-trimethoxyphenyl)phenyl]phenyl]-1H-benzimidazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)OC5=C(C6=C(C=CC(=C6)Cl)N=C5C7=CC8=CC=CC=C8C=C7)C9=CC=CC=C9

DOS

IR

Vibrations