Geometry & MOs

Info

ID:

51131

PubChem CID:

12013755

Reduced:

ClN3O3H32C39 (1)

Stoich.:

AB3C3D32E39 (1)

Weight, g/mol:

659.174247

ΔHf, kcal/mol:

84.9

Dipole, Da:

6.81

IP(EA), eV:

 -8.47(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

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)Cl)C7=CC=CC=C7

DOS

IR

Vibrations