Geometry & MOs

Info

ID:	241138
PubChem CID:	96021470
Reduced:	NC17H25 (1)
Stoich.:	AB17C25 (1)
Weight, g/mol:	207.108171
ΔH_f, kcal/mol:	-19.08
Dipole, Da:	0.66
IP(EA), eV:	-9.02(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(1S)-8-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]ethanethiol

Drug info:

PubChemData

Smile

CC1=C2[C@@H](NCCC2=CC=C1)CC3CCCCC3

DOS

IR

Vibrations