Geometry & MOs

Info

ID:	51141
PubChem CID:	12013767
Reduced:	ClN3O3H30C39 (1)
Stoich.:	AB3C3D30E39 (1)
Weight, g/mol:	476.165541
ΔH_f, kcal/mol:	102.0
Dipole, Da:	7.3
IP(EA), eV:	-8.35(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-[5-(4-chlorophenyl)-2,3-diphenyl-3,4-dihydropyrazol-4-yl]-2-methyl-3-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC1(C(N(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)OC)C(=O)C5=C(ON=C5C6=CC=C(C=C6)Cl)C7=CC=CC=C7

DOS

IR

Vibrations