Geometry & MOs

Info

ID:	241136
PubChem CID:	96021466
Reduced:	SN3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	273.129969
ΔH_f, kcal/mol:	51.62
Dipole, Da:	4.9
IP(EA), eV:	-9.4(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1S)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-4-propylthiadiazole

Drug info:

PubChemData

Smile

CCCC1=C(SN=N1)[C@@H]2C3=C(C=CC=C3CCN2)C

DOS

IR

Vibrations