Geometry & MOs

Info

ID:	241313
PubChem CID:	96022666
Reduced:	FN2O4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	288.09102
ΔH_f, kcal/mol:	-211.45
Dipole, Da:	6.21
IP(EA), eV:	-9.31(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](C[C@@H]1C2=C(CCN1)C=CC(=C2F)O)C(=O)O

DOS

IR

Vibrations