Geometry & MOs

Info

ID:	36281
PubChem CID:	8000492
Reduced:	SN2O3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	277.110766
ΔH_f, kcal/mol:	-72.74
Dipole, Da:	4.36
IP(EA), eV:	-8.94(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S,6R)-4-(7-chloroquinolin-1-ium-4-yl)-2,6-dimethylmorpholine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=S)N[C@H]1C2=CC(=CC=C2)OCC3=CC=CC=C3)C

DOS

IR

Vibrations