Geometry & MOs

Info

ID:	217442
PubChem CID:	85087828
Reduced:	O3C10H14 (2)
Stoich.:	A3B10C14 (2)
Weight, g/mol:	364.188589
ΔH_f, kcal/mol:	-252.84
Dipole, Da:	6.92
IP(EA), eV:	-9.44(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8a-hex-5-enyl-2,2-dimethyl-4-oxo-5a,6,7,8-tetrahydro-5H-pentaleno[1,2-d][1,3]dioxin-6-yl) methyl carbonate

Drug info:

PubChemData

Smile

CCCCCCC(C(=O)O)OC1=CC=CC(=C1)CCC2C(C(=O)O2)CO

DOS

IR

Vibrations