Geometry & MOs

Info

ID:	454
PubChem CID:	2784
Reduced:	NO3C22H26 (1)
Stoich.:	AB3C22D26 (1)
Weight, g/mol:	352.191269
ΔH_f, kcal/mol:	-54.9
Dipole, Da:	2.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751113
Charge, e:	1

Chem-info

IUPAC name:

(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate

Drug info:

PubChemData

Smile

C[N+]12CCC(CC1)C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

DOS

IR

Vibrations