Geometry & MOs

Info

ID:	400430
PubChem CID:	135047883
Reduced:	FeNPO7C14H18 (1)
Stoich.:	ABCD7E14F18 (1)
Weight, g/mol:	259.097345
ΔH_f, kcal/mol:	-238.24
Dipole, Da:	3.98
IP(EA), eV:	-9.21(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2E,4E)-1-cyanohexa-2,4-dienyl] diethyl phosphate

Drug info:

PubChemData

Smile

CCOP(=O)(OCC)O[C@@H](/C=C/C=C/C)C#N.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

DOS

IR

Vibrations