Geometry & MOs

Info

ID:	167362
PubChem CID:	74815545
Reduced:	N2O5C22H26 (1)
Stoich.:	A2B5C22D26 (1)
Weight, g/mol:	407.351178
ΔH_f, kcal/mol:	-143.4
Dipole, Da:	3.56
IP(EA), eV:	-8.66(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-[1-(3-cyclopentylpropyl)piperidin-1-ium-4-yl]-N-(oxolan-2-ylmethyl)piperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2CC(C1)(CN2C(=O)C3=COC(=N3)COC4=CC5=C(C=C4)OCO5)C)C

DOS

IR

Vibrations