Geometry & MOs

Info

ID:	241529
PubChem CID:	96023560
Reduced:	NOF2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	275.11217
ΔH_f, kcal/mol:	-91.18
Dipole, Da:	3.78
IP(EA), eV:	-9.05(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=C1C=CC(=C2F)O)CC3=CC=C(C=C3)F

DOS

IR

Vibrations