Geometry & MOs

Info

ID:	241575
PubChem CID:	96023740
Reduced:	NOF3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	285.152892
ΔH_f, kcal/mol:	-142.63
Dipole, Da:	4.52
IP(EA), eV:	-9.05(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(2,5-dimethylphenyl)methyl]-8-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=CC(=C(C=C21)F)O)CC3=CC(=CC(=C3)F)F

DOS

IR

Vibrations