Geometry & MOs

Info

ID:

51136

PubChem CID:

12013760

Reduced:

N3O4H35C40 (1)

Stoich.:

A3B4C35D40 (1)

Weight, g/mol:

698.244854

ΔHf, kcal/mol:

52.59

Dipole, Da:

4.1

IP(EA), eV:

 -8.36(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(4-chlorophenyl)-1,5-diphenylpyrazol-4-yl]-[5-(4-methoxyphenyl)-4-methyl-2,3-diphenyl-3H-pyrazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC1(C(ON=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3)C(=O)C4C(N(N=C4C5=CC=C(C=C5)OC)C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations