Geometry & MOs

Info

ID:	227109
PubChem CID:	87560206
Reduced:	N3C20H45 (1)
Stoich.:	A3B20C45 (1)
Weight, g/mol:	342.292266
ΔH_f, kcal/mol:	-79.03
Dipole, Da:	3.35
IP(EA), eV:	-8.64(3.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,3E,5E,7Z,9Z,11E)-2-ethyldocosa-1,3,5,7,9,11-hexaen-1-ol

Drug info:

PubChemData

Smile

CCC(CCCCCCCN)NC(CC)CCCCCCCN

DOS

IR

Vibrations