Geometry & MOs

Info

ID:	241574
PubChem CID:	96023737
Reduced:	FN2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	293.102749
ΔH_f, kcal/mol:	-122.55
Dipole, Da:	2.15
IP(EA), eV:	-9.05(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC[C@H]1[C@H]2C3=CC(=C(C=C3CCN2)F)O

DOS

IR

Vibrations