Geometry & MOs

Info

ID:	226370
PubChem CID:	87351050
Reduced:	NCl2C5H11 (1)
Stoich.:	AB2C5D11 (1)
Weight, g/mol:	556.2049
ΔH_f, kcal/mol:	-21.65
Dipole, Da:	4.2
IP(EA), eV:	-9.8(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-[(6-methylpyridazin-3-yl)amino]-2-oxoethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 1-phenylcycloheptane-1-carboxylate;bromide

Drug info:

PubChemData

Smile

CC(C)(CCCl)NCl

DOS

IR

Vibrations