Geometry & MOs

Info

ID:	14834
PubChem CID:	422089
Reduced:	O2N3H20C21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	346.155552
ΔH_f, kcal/mol:	-0.03
Dipole, Da:	2.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.960961
Charge, e:	1

Chem-info

IUPAC name:

1-(2-anilino-2-oxoethyl)-N-benzylpyridin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)C2=C[N+](=CC=C2)CC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations