Geometry & MOs

Info

ID:	404598
PubChem CID:	135067420
Reduced:	NO2F5H8C14 (1)
Stoich.:	AB2C5D8E14 (1)
Weight, g/mol:	323.152144
ΔH_f, kcal/mol:	-287.08
Dipole, Da:	3.31
IP(EA), eV:	-9.29(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6,6-dimethyl-5-oxo-7,8-dihydroquinolin-2-yl)-5-methylphenyl] acetate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)O)NC(=O)C2=C(C=CC=C2F)F)C(F)(F)F

DOS

IR

Vibrations