Geometry & MOs

Info

ID:	33707
PubChem CID:	7887582
Reduced:	FNSO4H16C17 (1)
Stoich.:	ABCD4E16F17 (1)
Weight, g/mol:	303.207253
ΔH_f, kcal/mol:	-167.24
Dipole, Da:	7.05
IP(EA), eV:	-8.6(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-1-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2SC)F

DOS

IR

Vibrations