Geometry & MOs

Info

ID:	16868
PubChem CID:	478053
Reduced:	O3C29H30 (1)
Stoich.:	A3B29C30 (1)
Weight, g/mol:	426.219495
ΔH_f, kcal/mol:	154.71
Dipole, Da:	4.36
IP(EA), eV:	-9.04(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

nonacosa-5,7,9,18,20,22,25-heptaen-1,12,15,28-tetrayne-3,14,27-triol

Drug info:

PubChemData

Smile

C#CC(CC=CC=CC=CCC#CC(C#CCC=CC=CC=CCC=CC(C#C)O)O)O

DOS

IR

Vibrations