Geometry & MOs

Info

ID:	178937
PubChem CID:	76403259
Reduced:	FO2N4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	-75.64
Dipole, Da:	7.41
IP(EA), eV:	-8.48(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-3-[(4-prop-2-enylpiperazin-1-yl)methyl]-4aH-quinolin-2-one

Drug info:

PubChemData

Smile

C1C(CNC1C(=O)NCCC2=CNC3=CC=CC=C32)NC(=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations