Geometry & MOs

Info

ID:	295038
PubChem CID:	117512535
Reduced:	BrO5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	332.05357
ΔH_f, kcal/mol:	-181.59
Dipole, Da:	3.7
IP(EA), eV:	-8.68(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-fluoro-2-methoxy-6-(2-piperazin-1-ylethyl)phenol

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C=C1C(C(=O)OC)O)Br)OC)OC

DOS

IR

Vibrations