Geometry & MOs

Info

ID:	241550
PubChem CID:	96023642
Reduced:	BrFNOC12H15 (1)
Stoich.:	ABCDE12F15 (1)
Weight, g/mol:	293.099811
ΔH_f, kcal/mol:	-90.76
Dipole, Da:	3.7
IP(EA), eV:	-7.83(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-8-fluoro-1-(4-propylthiadiazol-5-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

CC(C)([C@@H]1C2=C(CCN1)C=CC(=C2F)O)Br

DOS

IR

Vibrations