Geometry & MOs

Info

ID:	241205
PubChem CID:	96021940
Reduced:	NOF3H12C15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	293.068592
ΔH_f, kcal/mol:	-142.96
Dipole, Da:	3.31
IP(EA), eV:	-9.14(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(1R)-6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=C1C=C(C=C2F)F)C3=C(C=CC=C3F)O

DOS

IR

Vibrations