Geometry & MOs

Info

ID:	375679
PubChem CID:	134220766
Reduced:	OCl2N2H10C18 (1)
Stoich.:	AB2C2D10E18 (1)
Weight, g/mol:	846.17466
ΔH_f, kcal/mol:	26.88
Dipole, Da:	4.7
IP(EA), eV:	-8.63(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	3

Chem-info

IUPAC name:

4-[[1,4,4,6,6-pentakis(4-hydroxyphenoxy)-3-methyl-2,5,7-triaza-1,4,6-triphosphoniabicyclo[6.1.0]nonan-9-yl]oxy]phenol

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC3=C2C(=C1)C4NC5=C(N4C3=O)C=CC(=C5)Cl)Cl

DOS

IR

Vibrations