Geometry & MOs

Info

ID:	130703
PubChem CID:	51093625
Reduced:	ON2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-22.91
Dipole, Da:	1.76
IP(EA), eV:	-8.87(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-tert-butylbenzimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)N1C2=CC=CC=C2N=C1NC(=O)C3=CC(=O)N(C=C3)C

DOS

IR

Vibrations