Geometry & MOs

Info

ID:	241350
PubChem CID:	96023272
Reduced:	FOSN2H11C12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	247.11209
ΔH_f, kcal/mol:	-24.36
Dipole, Da:	4.22
IP(EA), eV:	-9.07(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=C1C=CC(=C2F)O)C3=NC=CS3

DOS

IR

Vibrations