Geometry & MOs

Info

ID:	395380
PubChem CID:	135025335
Reduced:	NOC27H41 (1)
Stoich.:	ABC27D41 (1)
Weight, g/mol:	448.143961
ΔH_f, kcal/mol:	-30.33
Dipole, Da:	2.91
IP(EA), eV:	-8.68(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1,4-diethoxy-1,4-dioxo-3-triphenylphosphaniumylbut-2-en-2-olate

Drug info:

PubChemData

Smile

CCCCCC(C#CC(C1=CC=CC=C1)N(C2CCCCC2)C3CCCCC3)O

DOS

IR

Vibrations