Geometry & MOs

Info

ID:	6951
PubChem CID:	70633
Reduced:	N2O3C6H6 (1)
Stoich.:	A2B3C6D6 (1)
Weight, g/mol:	154.037842
ΔH_f, kcal/mol:	8.52
Dipole, Da:	1.78
IP(EA), eV:	-10.15(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-nitro-1-oxidopyridin-1-ium

Drug info:

PubChemData

Smile

CC1=C(C=C[N+](=C1)[O-])[N+](=O)[O-]

DOS

IR

Vibrations