Geometry & MOs

Info

ID:	122014
PubChem CID:	50789594
Reduced:	FO2N4C27H27 (1)
Stoich.:	AB2C4D27E27 (1)
Weight, g/mol:	430.180504
ΔH_f, kcal/mol:	-64.21
Dipole, Da:	6.0
IP(EA), eV:	-8.78(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-acetamidophenyl)ethyl]-N-(3-fluoro-4-methylphenyl)-3H-benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CC=C(C=C1)CCC2=NC3=C(N2)C=C(C=C3)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations