Geometry & MOs

Info

ID:	9830
PubChem CID:	93595
Reduced:	NPO4C27H44 (1)
Stoich.:	ABC4D27E44 (1)
Weight, g/mol:	477.300796
ΔH_f, kcal/mol:	-245.8
Dipole, Da:	12.79
IP(EA), eV:	-8.36(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diphenyl phosphate;dodecyl(trimethyl)azanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCC[N+](C)(C)C.C1=CC=C(C=C1)OP(=O)([O-])OC2=CC=CC=C2

DOS

IR

Vibrations