Geometry & MOs

Info

ID:	241438
PubChem CID:	96023410
Reduced:	BrFNOC10H11 (1)
Stoich.:	ABCDE10F11 (1)
Weight, g/mol:	259.0008
ΔH_f, kcal/mol:	-73.68
Dipole, Da:	2.02
IP(EA), eV:	-9.04(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN[C@H](C2=CC(=C(C=C21)F)O)CBr

DOS

IR

Vibrations