Geometry & MOs

Info

ID:

51135

PubChem CID:

12013759

Reduced:

Cl2N2O4H26C33 (1)

Stoich.:

A2B2C4D26E33 (1)

Weight, g/mol:

621.262757

ΔHf, kcal/mol:

18.95

Dipole, Da:

5.64

IP(EA), eV:

 -9.13(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-(4-methoxyphenyl)-2,3-diphenyl-3,4-dihydropyrazol-4-yl]-[3-(4-methoxyphenyl)-4-methyl-5-phenyl-5H-1,2-oxazol-4-yl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations