Geometry & MOs

Info

ID:	242147
PubChem CID:	96026614
Reduced:	FOSN2C15H15 (1)
Stoich.:	ABCD2E15F15 (1)
Weight, g/mol:	269.106336
ΔH_f, kcal/mol:	-27.35
Dipole, Da:	6.19
IP(EA), eV:	-8.56(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[(1R)-8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C2CCN[C@H](C2=C1)C3=CC=CNC3=S)F

DOS

IR

Vibrations