Geometry & MOs

Info

ID:	7245
PubChem CID:	71691
Reduced:	NO2C26H50 (1)
Stoich.:	AB2C26D50 (1)
Weight, g/mol:	408.384155
ΔH_f, kcal/mol:	-143.58
Dipole, Da:	3.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752386
Charge, e:	1

Chem-info

IUPAC name:

2-(2,2-dicyclopentylacetyl)oxyethyl-diethyl-octylazanium

Drug info:

PubChemData

Smile

CCCCCCCC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C2CCCC2

DOS

IR

Vibrations