Geometry & MOs

Info

ID:	320632
PubChem CID:	126662196
Reduced:	O2N5C20H21 (1)
Stoich.:	A2B5C20D21 (1)
Weight, g/mol:	373.088099
ΔH_f, kcal/mol:	7.04
Dipole, Da:	3.34
IP(EA), eV:	-8.75(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[(E)-1-(2-chloro-6-fluorophenyl)prop-1-en-2-yl]-2-oxo-3,4-dihydro-1H-quinolin-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1CNC[C@@H]1N2C(=C(C(=N2)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)N)N

DOS

IR

Vibrations