Geometry & MOs

Info

ID:	392543
PubChem CID:	135017128
Reduced:	N2O4H20C25 (1)
Stoich.:	A2B4C20D25 (1)
Weight, g/mol:	443.111735
ΔH_f, kcal/mol:	-67.99
Dipole, Da:	3.76
IP(EA), eV:	-9.21(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-(2-acetyloxyphenyl)-6-nitroquinoxalin-2-yl]phenyl] acetate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(C(=N2)C3=CC=CC=C3OC(=O)C)C4=CC=CC=C4OC(=O)C

DOS

IR

Vibrations