Geometry & MOs

Info

ID:

51124

PubChem CID:

12013748

Reduced:

NOH14C16 (2)

Stoich.:

ABC14D16 (2)

Weight, g/mol:

621.262757

ΔHf, kcal/mol:

68.46

Dipole, Da:

1.27

IP(EA), eV:

 -8.13(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C(=C/C1=CC=CC=C1)/C(=O)C2C(N(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations