Geometry & MOs

Info

ID:	226668
PubChem CID:	87551002
Reduced:	NPO4C8H20 (2)
Stoich.:	ABC4D8E20 (2)
Weight, g/mol:	454.25729
ΔH_f, kcal/mol:	-509.71
Dipole, Da:	22.84
IP(EA), eV:	-9.22(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

hexane;trimethyl(2-phosphonooxyethyl)azanium

Drug info:

PubChemData

Smile

CCCCCCC(C[N+](C)(C)C)OP(=O)(O)[O-].C[N+](C)(C)CCOP(=O)(O)[O-]

DOS

IR

Vibrations