Geometry & MOs

Info

ID:	241570
PubChem CID:	96023729
Reduced:	BrFNOC12H15 (1)
Stoich.:	ABCDE12F15 (1)
Weight, g/mol:	279.087099
ΔH_f, kcal/mol:	-85.86
Dipole, Da:	2.13
IP(EA), eV:	-9.01(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2,3-difluorophenyl)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

CC[C@H]([C@H]1C2=CC(=C(C=C2CCN1)F)O)Br

DOS

IR

Vibrations