Geometry & MOs

Info

ID:	241444
PubChem CID:	96023417
Reduced:	FNOC13H16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	221.121592
ΔH_f, kcal/mol:	-59.02
Dipole, Da:	3.2
IP(EA), eV:	-8.88(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-cyclobutyl-6-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations