Geometry & MOs

Info

ID:	241900
PubChem CID:	96024536
Reduced:	ON2C15H18 (1)
Stoich.:	AB2C15D18 (1)
Weight, g/mol:	258.11907
ΔH_f, kcal/mol:	20.9
Dipole, Da:	3.93
IP(EA), eV:	-9.0(0.3)
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]-4-methyl-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2C3=C(ON=C3)C)C=C1)C

DOS

IR

Vibrations