Geometry & MOs

Info

ID:	232232
PubChem CID:	87575772
Reduced:	BrClFN4H7C13 (1)
Stoich.:	ABCD4E7F13 (1)
Weight, g/mol:	517.188519
ΔH_f, kcal/mol:	38.92
Dipole, Da:	4.99
IP(EA), eV:	-9.45(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

bis[[(E)-4-diethoxyphosphorylhex-3-en-3-yl]oxy]-oxophosphanium

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)C2=NC=C(N2)C3=CN=C(N=C3)Br)F

DOS

IR

Vibrations