Geometry & MOs

Info

ID:	228277
PubChem CID:	87563793
Reduced:	PO13H21C31 (1)
Stoich.:	AB13C21D31 (1)
Weight, g/mol:	198.053135
ΔH_f, kcal/mol:	-442.03
Dipole, Da:	9.89
IP(EA), eV:	-9.24(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3-amino-1,5-dihydroxypentan-3-yl)oxy-hydroxy-oxophosphanium

Drug info:

PubChemData

Smile

CP(=O)(OC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O)OC4=C(C=C(C=C4)C5=C(C(=O)C6=C(O5)C=C(C=C6)O)O)O

DOS

IR

Vibrations