Geometry & MOs

Info

ID:	392545
PubChem CID:	135017130
Reduced:	NO3H10C13 (2)
Stoich.:	AB3C10D13 (2)
Weight, g/mol:	476.03717
ΔH_f, kcal/mol:	-141.15
Dipole, Da:	2.38
IP(EA), eV:	-9.41(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=CC=C1C2=NC3=C(C=C(C=C3)C(=O)OC)N=C2C4=CC=CC=C4OC(=O)C

DOS

IR

Vibrations