Geometry & MOs

Info

ID:	241836
PubChem CID:	96024375
Reduced:	ClON2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	285.118735
ΔH_f, kcal/mol:	-26.52
Dipole, Da:	6.43
IP(EA), eV:	-8.85(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(1S)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)C3=CNC(=O)C(=C3)Cl

DOS

IR

Vibrations