Geometry & MOs

Info

ID:	31693
PubChem CID:	856399
Reduced:	OSN4C18H18 (1)
Stoich.:	ABC4D18E18 (1)
Weight, g/mol:	298.111756
ΔH_f, kcal/mol:	43.27
Dipole, Da:	6.46
IP(EA), eV:	-8.43(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-fluoroanilino)methyl]-6-methoxy-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3)C

DOS

IR

Vibrations