Geometry & MOs

Info

ID:	7284
PubChem CID:	71923
Reduced:	NO3C22H32 (1)
Stoich.:	AB3C22D32 (1)
Weight, g/mol:	358.238219
ΔH_f, kcal/mol:	-102.87
Dipole, Da:	2.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751332
Charge, e:	1

Chem-info

IUPAC name:

(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-cyclohexyl-2-hydroxy-2-phenylacetate

Drug info:

PubChemData

Smile

C[N+]12CCC(CC1)C(C2)OC(=O)C(C3CCCCC3)(C4=CC=CC=C4)O

DOS

IR

Vibrations