Geometry & MOs

Info

ID:	313514
PubChem CID:	126615244
Reduced:	NO4C15H24 (1)
Stoich.:	AB4C15D24 (1)
Weight, g/mol:	450.443681
ΔH_f, kcal/mol:	-154.5
Dipole, Da:	4.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.114748
Charge, e:	0

Chem-info

IUPAC name:

(6Z,9Z)-18-(3-nonan-2-yloxypropoxy)octadeca-6,9-diene

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC(=C1)C[N+](C)(CCO)CCO

DOS

IR

Vibrations