Geometry & MOs

Info

ID:	7305
PubChem CID:	72096
Reduced:	N2O3C23H46 (1)
Stoich.:	A2B3C23D46 (1)
Weight, g/mol:	398.350843
ΔH_f, kcal/mol:	-201.04
Dipole, Da:	12.89
IP(EA), eV:	-9.27(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(hexadecanoylamino)propyl-dimethylazaniumyl]acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-]

DOS

IR

Vibrations