Geometry & MOs

Info

ID:	241315
PubChem CID:	96022676
Reduced:	FN2O3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	288.09102
ΔH_f, kcal/mol:	-110.56
Dipole, Da:	2.39
IP(EA), eV:	-9.15(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S)-6-fluoro-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations