Geometry & MOs

Info

ID:	242033
PubChem CID:	96025179
Reduced:	NC15H23 (1)
Stoich.:	AB15C23 (1)
Weight, g/mol:	221.123821
ΔH_f, kcal/mol:	-20.33
Dipole, Da:	1.88
IP(EA), eV:	-8.65(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]ethanethiol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)C(C)(C)C

DOS

IR

Vibrations