Geometry & MOs

Info

ID:	441650
PubChem CID:	135238552
Reduced:	PO5N6C31H35 (1)
Stoich.:	AB5C6D31E35 (1)
Weight, g/mol:	460.197377
ΔH_f, kcal/mol:	-151.95
Dipole, Da:	7.25
IP(EA), eV:	-8.74(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(trifluoromethoxy)phenyl]methyl]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCOP(=O)(OCC)OC(C)N1C=C(C2=C1N=CC(=C2)C3=CC(=CN=C3)NC(=O)C=CCN(C)C)C4=CC=CC(=C4)C#N

DOS

IR

Vibrations