Geometry & MOs

Info

ID:

174955

PubChem CID:

75837825

Reduced:

O2N4C24H29 (1)

Stoich.:

A2B4C24D29 (1)

Weight, g/mol:

491.268511

ΔHf, kcal/mol:

30.48

Dipole, Da:

1.37

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 1.124223

Charge, e:

0

Chem-info

IUPAC name:

3-(diethylamino)-1-[3-(2,4-diphenyl-1H-imidazol-5-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=C2CCCC3C2=NC4NCN[NH+]4C3C5=CC=C(C=C5)OC

DOS

IR

Vibrations