Geometry & MOs

Info

ID:	294714
PubChem CID:	117484836
Reduced:	BrO4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	299.99972
ΔH_f, kcal/mol:	-120.91
Dipole, Da:	5.09
IP(EA), eV:	-8.79(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-5-(3-hydroxypropyl)-2,3-dihydro-1,4-benzodioxine-8-carbaldehyde

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1CCC=O)OCCO2)Br

DOS

IR

Vibrations