Geometry & MOs

Info

ID:	247689
PubChem CID:	103072687
Reduced:	N3O3C11H15 (1)
Stoich.:	A3B3C11D15 (1)
Weight, g/mol:	265.142641
ΔH_f, kcal/mol:	-26.13
Dipole, Da:	4.46
IP(EA), eV:	-9.58(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-nitro-1-[2-(propylaminomethyl)prop-2-enyl]pyridin-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations