Geometry & MOs

Info

ID:	217883
PubChem CID:	85088531
Reduced:	O2C13H16 (2)
Stoich.:	A2B13C16 (2)
Weight, g/mol:	408.287574
ΔH_f, kcal/mol:	-162.05
Dipole, Da:	2.35
IP(EA), eV:	-8.94(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 9-[5-(1-hydroxynon-3-enyl)-2,2-dimethyl-1,3-dioxolan-4-yl]nona-5,8-dienoate

Drug info:

PubChemData

Smile

CC1CCC(CC1C2=CC=C(C=C2)OC(=O)C)C(C)(C)C3=CC=C(C=C3)OC(=O)C

DOS

IR

Vibrations