Geometry & MOs

Info

ID:	241349
PubChem CID:	96023271
Reduced:	FNOC19H20 (1)
Stoich.:	ABCD19E20 (1)
Weight, g/mol:	250.057612
ΔH_f, kcal/mol:	-60.76
Dipole, Da:	4.31
IP(EA), eV:	-8.85(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-8-fluoro-1-(1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC=C2[C@H]3C4=CC(=C(C=C4CCN3)F)O

DOS

IR

Vibrations