Geometry & MOs

Info

ID:	73968
PubChem CID:	48421293
Reduced:	ClFNO2H13C16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	338.163043
ΔH_f, kcal/mol:	-100.2
Dipole, Da:	2.48
IP(EA), eV:	-8.6(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C1CC(=O)NC2=C1C=C(C=C2)OCC3=C(C=C(C=C3)F)Cl

DOS

IR

Vibrations