Geometry & MOs

Info

ID:	241588
PubChem CID:	96023764
Reduced:	FN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	252.127406
ΔH_f, kcal/mol:	-127.02
Dipole, Da:	5.67
IP(EA), eV:	-8.8(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-[(1R)-6-fluoro-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]ethyl]acetamide

Drug info:

PubChemData

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C[C@@H]([C@@H]1C2=CC(=C(C=C2CCN1)F)O)NC(=O)C

DOS

IR

Vibrations