Geometry & MOs

Info

ID:	43036
PubChem CID:	10317953
Reduced:	ClNO4H20C21 (1)
Stoich.:	ABC4D20E21 (1)
Weight, g/mol:	385.119319
ΔH_f, kcal/mol:	-126.79
Dipole, Da:	5.47
IP(EA), eV:	-8.81(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-7-hydroxy-N-(4-hydroxycyclohexyl)-1H-benzimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)C(C)(C)C(=O)O

DOS

IR

Vibrations