Geometry & MOs

Info

ID:	241980
PubChem CID:	96024901
Reduced:	NOSC16H17 (1)
Stoich.:	ABCD16E17 (1)
Weight, g/mol:	271.103085
ΔH_f, kcal/mol:	2.68
Dipole, Da:	2.7
IP(EA), eV:	-8.88(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-thiophen-2-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2C(=O)C3=CC=CS3)C=C1)C

DOS

IR

Vibrations