Geometry & MOs

Info

ID:	241502
PubChem CID:	96023501
Reduced:	FNOC16H20 (1)
Stoich.:	ABCD16E20 (1)
Weight, g/mol:	277.057278
ΔH_f, kcal/mol:	-76.23
Dipole, Da:	2.73
IP(EA), eV:	-8.89(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-6-fluoro-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-thiophen-2-ylmethanone

Drug info:

PubChemData

Smile

C1CCC(=CC1)C[C@H]2C3=C(CCN2)C=CC(=C3F)O

DOS

IR

Vibrations