Geometry & MOs

Info

ID:	141722
PubChem CID:	52921726
Reduced:	OC12H24 (2)
Stoich.:	AB12C24 (2)
Weight, g/mol:	414.349781
ΔH_f, kcal/mol:	-208.82
Dipole, Da:	2.11
IP(EA), eV:	-10.72(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10Z,13Z,16Z,19Z,22Z)-octacosa-10,13,16,19,22-pentaenoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)C(=O)O

DOS

IR

Vibrations