Geometry & MOs

Info

ID:	191062
PubChem CID:	78100672
Reduced:	O2C5H8 (4)
Stoich.:	A2B5C8 (4)
Weight, g/mol:	428.241018
ΔH_f, kcal/mol:	-348.8
Dipole, Da:	3.63
IP(EA), eV:	-9.91(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-heptoxy-2,3-dimethoxy-2,3-dimethyl-5-oxo-8,8a-dihydro-4aH-1,4-benzodioxin-6-yl)methyl acetate

Drug info:

PubChemData

Smile

CCCCCOC1C=C(C(=O)C2C1OC(C(O2)(C)OC)(C)OC)COC(=O)C

DOS

IR

Vibrations