Geometry & MOs

Info

ID:	241372
PubChem CID:	96023311
Reduced:	NOF2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	267.109314
ΔH_f, kcal/mol:	-100.0
Dipole, Da:	4.43
IP(EA), eV:	-8.9(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-8-fluoro-1-[[1-(sulfanylmethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[C@H]2C3=CC(=C(C=C3CCN2)F)O)F

DOS

IR

Vibrations