Geometry & MOs

Info

ID:	241460
PubChem CID:	96023443
Reduced:	FNO4C12H14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	251.095771
ΔH_f, kcal/mol:	-198.91
Dipole, Da:	6.93
IP(EA), eV:	-9.13(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-8-fluoro-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations