Geometry & MOs

Info

ID:	175473
PubChem CID:	75909533
Reduced:	ClO3N4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	344.172265
ΔH_f, kcal/mol:	-30.27
Dipole, Da:	7.45
IP(EA), eV:	-8.64(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(1-ethylpiperidin-1-ium-3-yl)-4-imidazol-1-yl-3-nitrobenzamide

Drug info:

PubChemData

Smile

CCN1CCCC(C1)NC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

DOS

IR

Vibrations