Geometry & MOs

Info

ID:	294985
PubChem CID:	117510682
Reduced:	BrO4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	328.04226
ΔH_f, kcal/mol:	-170.58
Dipole, Da:	4.33
IP(EA), eV:	-9.18(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-5-(piperazin-1-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-ol

Drug info:

PubChemData

Smile

COC(=O)C(C1=C2CCCCCC2=CC(=C1O)Br)O

DOS

IR

Vibrations