Geometry & MOs

Info

ID:	177889
PubChem CID:	76249584
Reduced:	ON2C14H17 (2)
Stoich.:	AB2C14D17 (2)
Weight, g/mol:	388.02227
ΔH_f, kcal/mol:	-25.49
Dipole, Da:	8.4
IP(EA), eV:	-9.02(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-2-fluorophenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=CC(=O)NCC3=CC=C(C=C3)C(=O)N(C)C(C)C)C

DOS

IR

Vibrations