Geometry & MOs

Info

ID:	79923
PubChem CID:	49831385
Reduced:	O2C9H12 (2)
Stoich.:	A2B9C12 (2)
Weight, g/mol:	392.29266
ΔH_f, kcal/mol:	-167.85
Dipole, Da:	8.15
IP(EA), eV:	-10.32(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3S,5R)-5-[(9E,11E,13E)-hexadeca-9,11,13-trienyl]-3,5-dimethyldioxolan-3-yl]acetate

Drug info:

PubChemData

Smile

CCC[C@@H]1[C@@H](CC2=C(CCC3=C1C(=O)OC3)COC2=O)CC

DOS

IR

Vibrations