Geometry & MOs

Info

ID:	64471
PubChem CID:	29200969
Reduced:	OSN2C22H26 (1)
Stoich.:	ABC2D22E26 (1)
Weight, g/mol:	394.187915
ΔH_f, kcal/mol:	-11.07
Dipole, Da:	2.42
IP(EA), eV:	-9.11(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-yl]-2-nitrobenzamide

Drug info:

PubChemData

Smile

CC[C@](C)(CC1=NC2=CC=CC=C2S1)CC(=O)NCCC3=CC=CC=C3

DOS

IR

Vibrations