Geometry & MOs

Info

ID:	298746
PubChem CID:	117655388
Reduced:	NO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	686.548851
ΔH_f, kcal/mol:	41.43
Dipole, Da:	5.59
IP(EA), eV:	-8.48(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[(E)-2-hexadecanoyloctadec-9-enoyl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CC#N.COC1=C(C(=C2C1=C2)OC)OC

DOS

IR

Vibrations