Geometry & MOs

Info

ID:	242023
PubChem CID:	96025132
Reduced:	SN3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	287.145619
ΔH_f, kcal/mol:	46.04
Dipole, Da:	2.68
IP(EA), eV:	-8.74(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1S)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-4-propylthiadiazole

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)CSC3=NC=CC=N3

DOS

IR

Vibrations