Geometry & MOs

Info

ID:	241402
PubChem CID:	96023358
Reduced:	FNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	253.111422
ΔH_f, kcal/mol:	-165.28
Dipole, Da:	3.42
IP(EA), eV:	-9.1(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1S)-8-fluoro-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H]1C2=C(CCN1)C=CC(=C2F)O

DOS

IR

Vibrations