Geometry & MOs

Info

ID:	384236
PubChem CID:	134976596
Reduced:	O2C10H13 (2)
Stoich.:	A2B10C13 (2)
Weight, g/mol:	444.305972
ΔH_f, kcal/mol:	-150.67
Dipole, Da:	2.74
IP(EA), eV:	-8.43(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (11R,12E,14Z)-11-[tert-butyl(dimethyl)silyl]oxyicosa-12,14-dien-5,8-diynoate

Drug info:

PubChemData

Smile

CC(=O)OC1=C(CCCCC1)C#CC2=C(CCCCC2)OC(=O)C

DOS

IR

Vibrations