Geometry & MOs

Info

ID:	124506
PubChem CID:	50885672
Reduced:	N4H18C19 (1)
Stoich.:	A4B18C19 (1)
Weight, g/mol:	416.129156
ΔH_f, kcal/mol:	115.97
Dipole, Da:	10.98
IP(EA), eV:	-8.48(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]-5-methyl-2-phenyl-4H-pyrazol-3-one

Drug info:

PubChemData

Smile

CCN(C)C1=CC=C(C=C1)/C=C(/C#N)\C2=NC3=CC=CC=C3N2

DOS

IR

Vibrations