Geometry & MOs

Info

ID:	241840
PubChem CID:	96024381
Reduced:	SN2O2C15H22 (1)
Stoich.:	AB2C2D15E22 (1)
Weight, g/mol:	285.118735
ΔH_f, kcal/mol:	-66.15
Dipole, Da:	6.39
IP(EA), eV:	-8.34(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(1S)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

CNC(=O)[C@H]1CCCN1CCOC2=CC=C(C=C2)SC

DOS

IR

Vibrations