Geometry & MOs

Info

ID:	12126
PubChem CID:	131034
Reduced:	NO4C24H48 (1)
Stoich.:	AB4C24D48 (1)
Weight, g/mol:	414.358334
ΔH_f, kcal/mol:	-234.92
Dipole, Da:	2.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751430
Charge, e:	1

Chem-info

IUPAC name:

trimethyl-[2-(3-propanoyloxyhexadecanoyloxy)ethyl]azanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(CC(=O)OCC[N+](C)(C)C)OC(=O)CC

DOS

IR

Vibrations