Geometry & MOs

Info

ID:	222740
PubChem CID:	85332244
Reduced:	O2F3N6H21C26 (1)
Stoich.:	A2B3C6D21E26 (1)
Weight, g/mol:	502.18311
ΔH_f, kcal/mol:	-33.89
Dipole, Da:	5.88
IP(EA), eV:	-8.95(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] N-butyl-N-phenylcarbamate;bromide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C2NNNN2)C3=CC(=C(C=C3)CNC(=O)C4=C(N=CC(=C4)F)OC5=CC=C(C=C5)F)F

DOS

IR

Vibrations