Geometry & MOs

Info

ID:	293150
PubChem CID:	117375064
Reduced:	BrOF2H7C9 (1)
Stoich.:	ABC2D7E9 (1)
Weight, g/mol:	247.98482
ΔH_f, kcal/mol:	-102.38
Dipole, Da:	2.69
IP(EA), eV:	-10.0(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-fluoro-2-(2-hydroxypropyl)phenol

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1F)F)Br)CCC=O

DOS

IR

Vibrations