Geometry & MOs

Info

ID:	15247
PubChem CID:	434578
Reduced:	O8C21H26 (1)
Stoich.:	A8B21C26 (1)
Weight, g/mol:	406.162768
ΔH_f, kcal/mol:	-339.38
Dipole, Da:	4.25
IP(EA), eV:	-10.2(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,8-diacetyloxy-6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-3-yl)methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1(C2CCC(=C)C3CC(C(=C)C3C2OC1=O)OC(=O)C)OC(=O)C

DOS

IR

Vibrations