Geometry & MOs

Info

ID:	89336
PubChem CID:	49960538
Reduced:	ClN2O3H7C11 (2)
Stoich.:	AB2C3D7E11 (2)
Weight, g/mol:	470.080013
ΔH_f, kcal/mol:	-12.29
Dipole, Da:	3.39
IP(EA), eV:	-9.28(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenoxy)-1-[4-[2-(2-chlorophenoxy)acetyl]-2,3-dihydroquinoxalin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C2N1C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

DOS

IR

Vibrations