Geometry & MOs

Info

ID:	247630
PubChem CID:	103072475
Reduced:	ClO2N4C10H15 (1)
Stoich.:	AB2C4D10E15 (1)
Weight, g/mol:	214.110613
ΔH_f, kcal/mol:	37.53
Dipole, Da:	8.69
IP(EA), eV:	-9.55(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(aminomethyl)prop-2-enyl]quinolin-2-one

Drug info:

PubChemData

Smile

CC(C)NCC(=C)CN1C=C(C(=N1)[N+](=O)[O-])Cl

DOS

IR

Vibrations