Geometry & MOs

Info

ID:	380883
PubChem CID:	134971466
Reduced:	O2C27H44 (1)
Stoich.:	A2B27C44 (1)
Weight, g/mol:	262.156895
ΔH_f, kcal/mol:	-112.91
Dipole, Da:	4.23
IP(EA), eV:	-8.89(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-2-methyl-7-[(2S,3S)-3-[(2R)-2-methylpent-4-ynyl]oxiran-2-yl]hepta-2,6-dienoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC1=CC(=C(C=C1)C#CC(C)(CC)O)O

DOS

IR

Vibrations