Geometry & MOs

Info

ID:	1319
PubChem CID:	4157
Reduced:	NO2C17H32 (1)
Stoich.:	AB2C17D32 (1)
Weight, g/mol:	282.243304
ΔH_f, kcal/mol:	-103.51
Dipole, Da:	2.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750965
Charge, e:	1

Chem-info

IUPAC name:

(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-propylpentanoate

Drug info:

PubChemData

Smile

CCCC(CCC)C(=O)OC1CC2CCC(C1)[N+]2(C)C

DOS

IR

Vibrations