Geometry & MOs

Info

ID:	170244
PubChem CID:	75212046
Reduced:	OF2N2H16C24 (1)
Stoich.:	AB2C2D16E24 (1)
Weight, g/mol:	383.053606
ΔH_f, kcal/mol:	5.64
Dipole, Da:	6.17
IP(EA), eV:	-9.06(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-6-(trifluoromethyl)-4aH-quinolin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C=CC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations