Geometry & MOs

Info

ID:	241374
PubChem CID:	96023314
Reduced:	FNOSC14H18 (1)
Stoich.:	ABCDE14F18 (1)
Weight, g/mol:	267.109314
ΔH_f, kcal/mol:	-61.51
Dipole, Da:	4.9
IP(EA), eV:	-8.83(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6-fluoro-1-[[1-(sulfanylmethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1CN[C@H](C2=CC(=C(C=C21)F)O)CC3(CC3)CS

DOS

IR

Vibrations