Geometry & MOs

Info

ID:	393477
PubChem CID:	135020732
Reduced:	NO4C19H25 (1)
Stoich.:	AB4C19D25 (1)
Weight, g/mol:	261.100108
ΔH_f, kcal/mol:	-163.1
Dipole, Da:	3.81
IP(EA), eV:	-8.85(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]quinolin-8-ol

Drug info:

PubChemData

Smile

CC(C)(C)N1[C@@H]2CC3=CC=CC=C3[C@H]1C(C2)(C(=O)OC)C(=O)OC

DOS

IR

Vibrations