Geometry & MOs

Info

ID:	191061
PubChem CID:	78100671
Reduced:	O4C9H14 (2)
Stoich.:	A4B9C14 (2)
Weight, g/mol:	400.209718
ΔH_f, kcal/mol:	-341.59
Dipole, Da:	5.52
IP(EA), eV:	-9.91(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1C=C(C(=O)C2C1OC(C(O2)(C)OC)(C)OC)COC(=O)C

DOS

IR

Vibrations