Geometry & MOs

Info

ID:

174218

PubChem CID:

75741664

Reduced:

OSN4C16H25 (1)

Stoich.:

ABC4D16E25 (1)

Weight, g/mol:

344.207548

ΔHf, kcal/mol:

44.68

Dipole, Da:

3.24

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.827133

Charge, e:

 2

Chem-info

IUPAC name:

(5-ethyl-1-azoniabicyclo[2.2.2]octan-2-yl)methyl-[[4-(trifluoromethoxy)phenyl]methyl]azanium

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C[NH+]2CCN(C(C2)CCO)CC3=CC=CS3

DOS

IR

Vibrations