Geometry & MOs

Info

ID:	285474
PubChem CID:	104108643
Reduced:	NO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	-112.92
Dipole, Da:	4.2
IP(EA), eV:	-9.82(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxypentan-2-yl)-3H-benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(CC(C)O)NC(=O)CC1CCC=C1

DOS

IR

Vibrations