Geometry & MOs

Info

ID:	241379
PubChem CID:	96023319
Reduced:	FON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	262.091769
ΔH_f, kcal/mol:	-54.1
Dipole, Da:	4.73
IP(EA), eV:	-8.84(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C/C=C/[C@H]1C2=CC(=C(C=C2CCN1)F)O

DOS

IR

Vibrations