Geometry & MOs

Info

ID:	382566
PubChem CID:	134973812
Reduced:	NO3C11H16 (1)
Stoich.:	AB3C11D16 (1)
Weight, g/mol:	209.105193
ΔH_f, kcal/mol:	-119.74
Dipole, Da:	3.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.146122
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(4-hydroxy-1,2,3,4-tetrahydroquinolin-2-yl)ethane-1,2-diol

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2NC1[C@H](CO)O)[OH2+]

DOS

IR

Vibrations