Geometry & MOs

Info

ID:	241805
PubChem CID:	96024318
Reduced:	N2C17H20 (1)
Stoich.:	A2B17C20 (1)
Weight, g/mol:	272.13472
ΔH_f, kcal/mol:	29.19
Dipole, Da:	5.32
IP(EA), eV:	-8.99(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)C3=C(C=NC=C3)C

DOS

IR

Vibrations