Geometry & MOs

Info

ID:	241189
PubChem CID:	96021826
Reduced:	OF2N2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	290.086684
ΔH_f, kcal/mol:	-136.72
Dipole, Da:	4.84
IP(EA), eV:	-9.3(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1S)-6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)[C@@H]2C3=C(CCN2)C=C(C=C3F)F

DOS

IR

Vibrations