Geometry & MOs

Info

ID:	227452
PubChem CID:	87561781
Reduced:	BrO3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	466.277798
ΔH_f, kcal/mol:	-91.28
Dipole, Da:	2.04
IP(EA), eV:	-9.44(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-diethoxyhexoxycarbonyloxy 1,1-diethoxyhexyl carbonate

Drug info:

PubChemData

Smile

COCOC1=C(C(=CC=C1)Br)CC=O

DOS

IR

Vibrations