Geometry & MOs

Info

ID:	120682
PubChem CID:	50739985
Reduced:	NOH8C9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	229.085127
ΔH_f, kcal/mol:	16.11
Dipole, Da:	4.23
IP(EA), eV:	-8.97(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxido-N-(pyridin-3-ylmethyl)pyridin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=CC=[N+](C=C3)[O-]

DOS

IR

Vibrations