Geometry & MOs

Info

ID:	51194
PubChem CID:	12013830
Reduced:	O3N4H26C28 (1)
Stoich.:	A3B4C26D28 (1)
Weight, g/mol:	420.158626
ΔH_f, kcal/mol:	-12.2
Dipole, Da:	3.47
IP(EA), eV:	-8.38(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)-1-prop-2-enylquinoxalin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)/C=C\1/C(=O)N(C2=CC=CC=C2N1)CC3CC(=NN3C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations