Geometry & MOs

Info

ID:	79866
PubChem CID:	49830909
Reduced:	ClO2F4N4H13C19 (1)
Stoich.:	AB2C4D4E13F19 (1)
Weight, g/mol:	399.147058
ΔH_f, kcal/mol:	-216.71
Dipole, Da:	4.96
IP(EA), eV:	-9.34(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(4-hydroxy-2-methylphenyl)-4-oxo-7-phenylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=O)NN=C1C2=CC(=C(C=C2)NC(=O)NC3=C(C=CC(=C3)C(F)(F)F)F)Cl

DOS

IR

Vibrations