Geometry & MOs

Info

ID:	241597
PubChem CID:	96023796
Reduced:	NO2F3H12C15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	295.082013
ΔH_f, kcal/mol:	-171.45
Dipole, Da:	4.01
IP(EA), eV:	-9.04(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2,3-difluoro-4-hydroxyphenyl)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations