Geometry & MOs

Info

ID:	247565
PubChem CID:	103072255
Reduced:	N3O3C8H11 (1)
Stoich.:	A3B3C8D11 (1)
Weight, g/mol:	223.095691
ΔH_f, kcal/mol:	-27.65
Dipole, Da:	7.72
IP(EA), eV:	-9.87(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(methylaminomethyl)prop-2-enyl]-3-nitropyridin-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations