Geometry & MOs

Info

ID:	89342
PubChem CID:	49960579
Reduced:	NOCl2H7C11 (2)
Stoich.:	ABC2D7E11 (2)
Weight, g/mol:	430.116486
ΔH_f, kcal/mol:	-27.17
Dipole, Da:	3.93
IP(EA), eV:	-8.78(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-carboxybenzoyl)-2,3-dihydroquinoxaline-1-carbonyl]benzoic acid

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C2N1C(=O)C3=C(C=C(C=C3)Cl)Cl)C(=O)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations