Geometry & MOs

Info

ID:	147995
PubChem CID:	53787657
Reduced:	FNOC8H10 (1)
Stoich.:	ABCD8E10 (1)
Weight, g/mol:	395.17644
ΔH_f, kcal/mol:	-69.93
Dipole, Da:	2.78
IP(EA), eV:	-9.1(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[4-(2-chlorophenyl)piperazin-1-yl]but-1-enyl]-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)OCCF

DOS

IR

Vibrations