Geometry & MOs

Info

ID:	177263
PubChem CID:	76156784
Reduced:	FO4N5C32H34 (1)
Stoich.:	AB4C5D32E34 (1)
Weight, g/mol:	278.22458
ΔH_f, kcal/mol:	-99.97
Dipole, Da:	6.0
IP(EA), eV:	-8.3(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octadeca-2,9,12-trienoic acid

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)NC2=NC=CC(=N2)N3CCCC(C3)C(=O)NCC4=CC(=CC=C4)C5=CC=C(C=C5)F

DOS

IR

Vibrations