Geometry & MOs

Info

ID:	51195
PubChem CID:	12013831
Reduced:	ON2H10C13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	614.243024
ΔH_f, kcal/mol:	76.99
Dipole, Da:	4.99
IP(EA), eV:	-8.7(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,5-diphenyl-3,4-dihydropyrazol-3-yl)methyl]-3-(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)quinoxalin-2-one

Drug info:

PubChemData

Smile

C=CCN1C2=CC=CC=C2N=C(C1=O)C3=C(NN(C3=O)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations