Geometry & MOs

Info

ID:	247688
PubChem CID:	103072686
Reduced:	N3O3C10H13 (1)
Stoich.:	A3B3C10D13 (1)
Weight, g/mol:	237.111341
ΔH_f, kcal/mol:	-25.8
Dipole, Da:	4.04
IP(EA), eV:	-9.82(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-[2-(methylaminomethyl)prop-2-enyl]-5-nitropyridin-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations