Geometry & MOs

Info

ID:	32691
PubChem CID:	7847166
Reduced:	ClNO2H20C21 (1)
Stoich.:	ABC2D20E21 (1)
Weight, g/mol:	391.178358
ΔH_f, kcal/mol:	-44.42
Dipole, Da:	1.8
IP(EA), eV:	-9.4(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)O[C@H](C)C3=CC=CC=C3Cl

DOS

IR

Vibrations