Geometry & MOs

Info

ID:	294713
PubChem CID:	117484827
Reduced:	BrO4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	299.99972
ΔH_f, kcal/mol:	-133.85
Dipole, Da:	1.64
IP(EA), eV:	-8.85(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propanal

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C2(CC2)CC(=O)O)Br)O

DOS

IR

Vibrations