Geometry & MOs

Info

ID:

51140

PubChem CID:

12013766

Reduced:

N3O4H33C40 (1)

Stoich.:

A3B4C33D40 (1)

Weight, g/mol:

623.197569

ΔHf, kcal/mol:

69.96

Dipole, Da:

2.82

IP(EA), eV:

 -8.31(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(4-chlorophenyl)-5-phenyl-1,2-oxazol-4-yl]-[3-(4-methoxyphenyl)-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)C5=C(ON=C5C6=CC=C(C=C6)OC)C7=CC=CC=C7

DOS

IR

Vibrations