Geometry & MOs

Info

ID:	53778
PubChem CID:	14717911
Reduced:	N2O5H22C24 (1)
Stoich.:	A2B5C22D24 (1)
Weight, g/mol:	426.053798
ΔH_f, kcal/mol:	-87.16
Dipole, Da:	6.39
IP(EA), eV:	-8.8(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,3-bis(4-chlorophenyl)-2,3-dihydroquinoxalin-6-yl]-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2[C@H](N=C3C=C(C=CC3=N2)C(C(=O)O)O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations