Geometry & MOs

Info

ID:	51193
PubChem CID:	12013829
Reduced:	N2O2H15C17 (1)
Stoich.:	A2B2C15D17 (1)
Weight, g/mol:	466.200491
ΔH_f, kcal/mol:	46.7
Dipole, Da:	8.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769470
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2Z)-2-[4-[(2,5-diphenyl-3,4-dihydropyrazol-3-yl)methyl]-3-oxo-1H-quinoxalin-2-ylidene]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=CCO/C(=C/[N+]#N)/O)C2=CC=CC=C2

DOS

IR

Vibrations