Geometry & MOs

Info

ID:	53786
PubChem CID:	14717925
Reduced:	NO3C13H13 (2)
Stoich.:	AB3C13D13 (2)
Weight, g/mol:	462.179087
ΔH_f, kcal/mol:	-120.57
Dipole, Da:	4.82
IP(EA), eV:	-8.4(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations