Geometry & MOs

Info

ID:	241401
PubChem CID:	96023355
Reduced:	NF2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	253.111422
ΔH_f, kcal/mol:	-133.78
Dipole, Da:	3.28
IP(EA), eV:	-9.02(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

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C1CN[C@H](C2=C1C=CC(=C2F)O)[C@@H](C3=CC=CC=C3F)O

DOS

IR

Vibrations