Geometry & MOs

Info

ID:	241573
PubChem CID:	96023736
Reduced:	FN2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	278.143056
ΔH_f, kcal/mol:	-122.05
Dipole, Da:	2.82
IP(EA), eV:	-8.87(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-[(1R)-6-fluoro-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC[C@H]1[C@@H]2C3=CC(=C(C=C3CCN2)F)O

DOS

IR

Vibrations