Geometry & MOs

Info

ID:	137231
PubChem CID:	52173366
Reduced:	O2N3C25H29 (1)
Stoich.:	A2B3C25D29 (1)
Weight, g/mol:	397.223966
ΔH_f, kcal/mol:	-32.06
Dipole, Da:	2.04
IP(EA), eV:	-8.74(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-3-(2-nitroanilino)propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2CCC(CC2)NC(=O)CC3=C(OC(=N3)C4=CC=CC=C4)C

DOS

IR

Vibrations