Geometry & MOs

Info

ID:	12011
PubChem CID:	125869
Reduced:	NP2C9O10H21 (1)
Stoich.:	AB2C9D10E21 (1)
Weight, g/mol:	365.06407
ΔH_f, kcal/mol:	-585.51
Dipole, Da:	3.46
IP(EA), eV:	-9.66(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-diphosphonooxypropyl 6-aminohexanoate

Drug info:

PubChemData

Smile

C(CCC(=O)OCC(COP(=O)(O)O)OP(=O)(O)O)CCN

DOS

IR

Vibrations