Geometry & MOs

Info

ID:	120680
PubChem CID:	50739983
Reduced:	OSN2H7C8 (2)
Stoich.:	ABC2D7E8 (2)
Weight, g/mol:	256.121178
ΔH_f, kcal/mol:	66.18
Dipole, Da:	4.7
IP(EA), eV:	-8.9(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethyl-6-methylphenyl)-1-oxidopyridin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CSC2=NN=C(S2)NC(=O)C3=CC=[N+](C=C3)[O-]

DOS

IR

Vibrations