Geometry & MOs

Info

ID:	12028
PubChem CID:	126428
Reduced:	PN2O8C17H27 (1)
Stoich.:	AB2C8D17E27 (1)
Weight, g/mol:	418.150503
ΔH_f, kcal/mol:	-312.47
Dipole, Da:	4.57
IP(EA), eV:	-9.93(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(4-nitrophenoxy)-6-oxohexyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

C[N+](C)(C)CCOP(=O)([O-])OCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations