Geometry & MOs

Info

ID:	241977
PubChem CID:	96024880
Reduced:	NSC17H19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	269.123821
ΔH_f, kcal/mol:	25.94
Dipole, Da:	3.18
IP(EA), eV:	-8.47(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)C3=CC=C(C=C3)S

DOS

IR

Vibrations