Geometry & MOs

Info

ID:	241135
PubChem CID:	96021459
Reduced:	NSC19H23 (1)
Stoich.:	ABC19D23 (1)
Weight, g/mol:	273.129969
ΔH_f, kcal/mol:	31.3
Dipole, Da:	2.0
IP(EA), eV:	-8.71(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2[C@@H](NCCC2=CC=C1)C3(CCCC3)C4=CC=CS4

DOS

IR

Vibrations