Geometry & MOs

Info

ID:

51125

PubChem CID:

12013749

Reduced:

N3O4H35C40 (1)

Stoich.:

A3B4C35D40 (1)

Weight, g/mol:

506.176106

ΔHf, kcal/mol:

54.59

Dipole, Da:

7.22

IP(EA), eV:

 -8.38(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-1-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenyl-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)C5C(ON=C5C6=CC=C(C=C6)OC)C7=CC=CC=C7

DOS

IR

Vibrations