Geometry & MOs

Info

ID:	241571
PubChem CID:	96023732
Reduced:	NOF3H12C15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	278.143056
ΔH_f, kcal/mol:	-131.42
Dipole, Da:	2.71
IP(EA), eV:	-9.01(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-[(1R)-8-fluoro-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=CC(=C(C=C21)F)O)C3=C(C(=CC=C3)F)F

DOS

IR

Vibrations