Geometry & MOs

Info

ID:	241373
PubChem CID:	96023312
Reduced:	FNOSC14H18 (1)
Stoich.:	ABCDE14F18 (1)
Weight, g/mol:	267.109314
ΔH_f, kcal/mol:	-55.5
Dipole, Da:	3.86
IP(EA), eV:	-8.88(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=C1C=CC(=C2F)O)CC3(CC3)CS

DOS

IR

Vibrations