Geometry & MOs

Info

ID:	29986
PubChem CID:	838751
Reduced:	OCl2N2H16C18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	332.048318
ΔH_f, kcal/mol:	5.36
Dipole, Da:	5.78
IP(EA), eV:	-8.85(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-3-(2,4-dichlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN([C@@H](C2)C3=C(C=C(C=C3)Cl)Cl)C(=O)C

DOS

IR

Vibrations