Geometry & MOs

Info

ID:	242030
PubChem CID:	96025154
Reduced:	NSC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	221.123821
ΔH_f, kcal/mol:	-3.3
Dipole, Da:	2.78
IP(EA), eV:	-8.82(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(1R)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]ethanethiol

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2[C@H](C)S)C=C1)C

DOS

IR

Vibrations