Geometry & MOs

Info

ID:	137603
PubChem CID:	52231918
Reduced:	ON4H22C24 (1)
Stoich.:	AB4C22D24 (1)
Weight, g/mol:	510.158444
ΔH_f, kcal/mol:	91.49
Dipole, Da:	3.07
IP(EA), eV:	-8.37(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[(3R)-5-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1/C=N\NC2=NC3=C(C=C(C=C3)C)C(=N2)C4=CC=CC=C4

DOS

IR

Vibrations