Geometry & MOs

Info

ID:	247720
PubChem CID:	103072955
Reduced:	ON2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	301.0062
ΔH_f, kcal/mol:	-16.46
Dipole, Da:	4.24
IP(EA), eV:	-8.63(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(aminomethyl)prop-2-enyl]-3-bromo-4-methyl-5-nitropyridin-2-one

Drug info:

PubChemData

Smile

CNCC(=C)CN1C2=C(CCC2)C=CC1=O

DOS

IR

Vibrations