Geometry & MOs

Info

ID:	11515
PubChem CID:	117097
Reduced:	NP2C3O6H9 (2)
Stoich.:	AB2C3D6E9 (2)
Weight, g/mol:	433.981022
ΔH_f, kcal/mol:	-748.76
Dipole, Da:	4.25
IP(EA), eV:	-9.48(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[4-(diphosphonomethyl)piperazin-1-yl]-phosphonomethyl]phosphonic acid

Drug info:

PubChemData

Smile

C1CN(CCN1C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O

DOS

IR

Vibrations