Geometry & MOs

Info

ID:	241976
PubChem CID:	96024878
Reduced:	NSC17H19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	269.123821
ΔH_f, kcal/mol:	29.67
Dipole, Da:	1.37
IP(EA), eV:	-8.65(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2C3=CC=C(C=C3)S)C=C1)C

DOS

IR

Vibrations