Geometry & MOs

Info

ID:	38311
PubChem CID:	8029942
Reduced:	O4C11H18 (1)
Stoich.:	A4B11C18 (1)
Weight, g/mol:	423.185472
ΔH_f, kcal/mol:	-199.51
Dipole, Da:	1.72
IP(EA), eV:	-9.94(0.81)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C[C@H]1CCCC12OCCO2

DOS

IR

Vibrations