Geometry & MOs

Info

ID:	222865
PubChem CID:	85332799
Reduced:	N4O5C33H34 (1)
Stoich.:	A4B5C33D34 (1)
Weight, g/mol:	487.154767
ΔH_f, kcal/mol:	-113.37
Dipole, Da:	3.57
IP(EA), eV:	-9.25(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-(3-thiophen-2-ylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] N,N-bis(thiophen-2-ylmethyl)carbamate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)C(=O)COCC(=O)O

DOS

IR

Vibrations