Geometry & MOs

Info

ID:	54715
PubChem CID:	17389147
Reduced:	BClPN2F4H23C28 (1)
Stoich.:	ABCD2E4F23G28 (1)
Weight, g/mol:	493.13551
ΔH_f, kcal/mol:	-238.41
Dipole, Da:	20.3
IP(EA), eV:	-9.31(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(diethylamino)phenyl]-methyl-dimorpholin-4-ylphosphanium;iodide

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.CC1=NN(C(=C1[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)Cl)C5=CC=CC=C5

DOS

IR

Vibrations