Geometry & MOs

Info

ID:	241954
PubChem CID:	96024783
Reduced:	NC15H21 (1)
Stoich.:	AB15C21 (1)
Weight, g/mol:	270.11907
ΔH_f, kcal/mol:	3.66
Dipole, Da:	1.41
IP(EA), eV:	-8.82(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2C3CCC3)C=C1)C

DOS

IR

Vibrations