Geometry & MOs

Info

ID:	241595
PubChem CID:	96023794
Reduced:	NOF2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	289.12782
ΔH_f, kcal/mol:	-100.79
Dipole, Da:	4.73
IP(EA), eV:	-8.9(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6-fluoro-1-[(5-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations