Geometry & MOs

Info

ID:	241413
PubChem CID:	96023373
Reduced:	FNOC14H18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	285.065735
ΔH_f, kcal/mol:	-68.85
Dipole, Da:	4.01
IP(EA), eV:	-8.8(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(1,3-dithian-2-yl)-8-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

CC1(C[C@H]1[C@H]2C3=CC(=C(C=C3CCN2)F)O)C

DOS

IR

Vibrations