Geometry & MOs

Info

ID:

214865

PubChem CID:

85083763

Reduced:

N2F6O7H26C29 (1)

Stoich.:

A2B6C7D26E29 (1)

Weight, g/mol:

515.198009

ΔHf, kcal/mol:

-510.01

Dipole, Da:

1.95

IP(EA), eV:

 -9.77(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[1-(2-phenylethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] N-(thiophen-2-ylmethyl)-N-[(2,4,5-trifluorophenyl)methyl]carbamate

Drug info:

PubChemData

Smile

COC(=O)C(CC1=NC=C(C=C1)OC(=O)C(C2=CC=CC=C2)(C(F)(F)F)OC)NC(=O)C(C3=CC=CC=C3)(C(F)(F)F)OC

DOS

IR

Vibrations