Geometry & MOs

Info

ID:	241314
PubChem CID:	96022673
Reduced:	FN2O3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	288.09102
ΔH_f, kcal/mol:	-111.44
Dipole, Da:	4.22
IP(EA), eV:	-9.2(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations