Geometry & MOs

Info

ID:	144270
PubChem CID:	53340852
Reduced:	NO2C34H65 (1)
Stoich.:	AB2C34D65 (1)
Weight, g/mol:	491.47023
ΔH_f, kcal/mol:	-161.35
Dipole, Da:	2.11
IP(EA), eV:	-8.58(1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(9Z,12Z)-octadeca-9,12-dienoxy]-2-octoxyethyl]pyrrolidine

Drug info:

PubChemData

Smile

CCCCC/C=C\C/C=C\CCCCCCCCOC(CN(C)C)OCCCCCCC/C=C\CCC

DOS

IR

Vibrations