Geometry & MOs

Info

ID:	615
PubChem CID:	3087
Reduced:	NO5C43H86 (1)
Stoich.:	AB5C43D86 (1)
Weight, g/mol:	696.6506
ΔH_f, kcal/mol:	-365.45
Dipole, Da:	3.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753836
Charge, e:	1

Chem-info

IUPAC name:

2,3-di(octadecanoyloxy)propyl-(2-hydroxyethyl)-dimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OCC(C[N+](C)(C)CCO)OC(=O)CCCCCCCCCCCCCCCCC

DOS

IR

Vibrations