Geometry & MOs

Info

ID:	8659
PubChem CID:	80096
Reduced:	NP2O6C8H21 (1)
Stoich.:	AB2C6D8E21 (1)
Weight, g/mol:	289.084411
ΔH_f, kcal/mol:	-402.37
Dipole, Da:	2.32
IP(EA), eV:	-9.19(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[hexyl(phosphonomethyl)amino]methylphosphonic acid

Drug info:

PubChemData

Smile

CCCCCCN(CP(=O)(O)O)CP(=O)(O)O

DOS

IR

Vibrations