Geometry & MOs

Info

ID:	53784
PubChem CID:	14717921
Reduced:	NO2H11C12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	410.058883
ΔH_f, kcal/mol:	-49.53
Dipole, Da:	7.41
IP(EA), eV:	-8.8(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S,3R)-2,3-bis(4-chlorophenyl)-2,3-dihydroquinoxalin-6-yl]acetic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C(N=C3C=C(C=CC3=N2)CC(=O)O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations