Geometry & MOs

Info

ID:	242024
PubChem CID:	96025134
Reduced:	SN3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	287.145619
ΔH_f, kcal/mol:	53.11
Dipole, Da:	4.82
IP(EA), eV:	-8.99(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1S)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-4-propylthiadiazole

Drug info:

PubChemData

Smile

CCCC1=C(SN=N1)[C@@H]2C3=C(CCN2)C=CC(=C3C)C

DOS

IR

Vibrations