Geometry & MOs

Info

ID:	241578
PubChem CID:	96023746
Reduced:	NOF2H15C17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	287.11217
ΔH_f, kcal/mol:	-74.04
Dipole, Da:	4.93
IP(EA), eV:	-9.06(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-8-fluoro-1-[(E)-2-(3-fluorophenyl)ethenyl]-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations