Geometry & MOs

Info

ID:	294255
PubChem CID:	117443568
Reduced:	BrFO3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	275.97973
ΔH_f, kcal/mol:	-155.93
Dipole, Da:	2.28
IP(EA), eV:	-9.79(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-6-fluoro-1,3-benzodioxol-5-yl)propan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)F)Br)C(C(=O)OC)O

DOS

IR

Vibrations