Geometry & MOs

Info

ID:	247481
PubChem CID:	103071754
Reduced:	N3O3C11H15 (1)
Stoich.:	A3B3C11D15 (1)
Weight, g/mol:	223.095691
ΔH_f, kcal/mol:	-22.62
Dipole, Da:	4.81
IP(EA), eV:	-9.45(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNCC(=C)CN1C=C(C=CC1=O)[N+](=O)[O-]

DOS

IR

Vibrations