Geometry & MOs

Info

ID:

51130

PubChem CID:

12013754

Reduced:

ClO2N4H37C45 (1)

Stoich.:

AB2C4D37E45 (1)

Weight, g/mol:

625.21322

ΔHf, kcal/mol:

144.72

Dipole, Da:

6.21

IP(EA), eV:

 -8.38(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-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=C(C=C2)OC)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5C(N(N=C5C6=CC=C(C=C6)Cl)C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations