Geometry & MOs

Info

ID:	823
PubChem CID:	3402
Reduced:	FNO3C24H29 (1)
Stoich.:	ABC3D24E29 (1)
Weight, g/mol:	398.213147
ΔH_f, kcal/mol:	-106.19
Dipole, Da:	2.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752260
Charge, e:	1

Chem-info

IUPAC name:

[8-(2-fluoroethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2,2-diphenylacetate

Drug info:

PubChemData

Smile

C[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCF

DOS

IR

Vibrations