Geometry & MOs

Info

ID:	404802
PubChem CID:	135071096
Reduced:	NPO4C12H22 (1)
Stoich.:	ABC4D12E22 (1)
Weight, g/mol:	291.110984
ΔH_f, kcal/mol:	-249.18
Dipole, Da:	5.06
IP(EA), eV:	-11.05(0.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E,3E)-1-diethoxyphosphoryl-3-[hydroxy(methoxy)methylidene]pent-1-ene-1-diazonium

Drug info:

PubChemData

Smile

CCOP(=O)(OCC)O[C@@H](C#N)C1CCCCC1

DOS

IR

Vibrations