Geometry & MOs

Info

ID:	242077
PubChem CID:	96025583
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	272.13472
ΔH_f, kcal/mol:	-99.19
Dipole, Da:	2.62
IP(EA), eV:	-8.9(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1R)-5,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-2,4-dimethyl-1,3-thiazole

Drug info:

PubChemData

Smile

CCOC(=O)CC[C@@H]1C2=C(C=CC(=C2CCN1)C)C

DOS

IR

Vibrations