Geometry & MOs

Info

ID:	24841
PubChem CID:	613884
Reduced:	O8C23H32 (1)
Stoich.:	A8B23C32 (1)
Weight, g/mol:	436.209718
ΔH_f, kcal/mol:	-270.73
Dipole, Da:	2.28
IP(EA), eV:	-9.55(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[6-acetyloxy-8-(acetyloxymethyl)-1,4-dimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]-4-methylhepta-2,4-dienoate

Drug info:

PubChemData

Smile

CC1C2C(C=C(C(O2)(OC1C(C)C=C(C)C=CC(=O)OC)C)COC(=O)C)OC(=O)C

DOS

IR

Vibrations