Geometry & MOs

Info

ID:	8658
PubChem CID:	80094
Reduced:	NP2C5O6H15 (1)
Stoich.:	AB2C5D6E15 (1)
Weight, g/mol:	247.037461
ΔH_f, kcal/mol:	-387.19
Dipole, Da:	2.79
IP(EA), eV:	-9.35(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phosphonomethyl(propyl)amino]methylphosphonic acid

Drug info:

PubChemData

Smile

CCCN(CP(=O)(O)O)CP(=O)(O)O

DOS

IR

Vibrations