Geometry & MOs

Info

ID:	29989
PubChem CID:	838765
Reduced:	OCl2N2H14C17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	346.063968
ΔH_f, kcal/mol:	13.94
Dipole, Da:	2.79
IP(EA), eV:	-9.22(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-3-(2,4-dichlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H](CC(=N1)C2=C(C=CC(=C2)Cl)Cl)C3=CC=CC=C3

DOS

IR

Vibrations