Geometry & MOs

Info

ID:	302823
PubChem CID:	124396963
Reduced:	N2O4C27H28 (1)
Stoich.:	A2B4C27D28 (1)
Weight, g/mol:	226.095357
ΔH_f, kcal/mol:	-68.11
Dipole, Da:	5.05
IP(EA), eV:	-8.27(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R)-1,4-dihydroxy-3-(hydroxymethyl)-2,3-dihydroquinoxalin-2-yl]methanol

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)[C@H]1[C@H]([C@@]([C@@H]2N1C3=CC=CC=C3C=C2)(C#N)C(=O)OC)C4=CC=C(C=C4)OC

DOS

IR

Vibrations