Geometry & MOs

Info

ID:	166012
PubChem CID:	74626302
Reduced:	ClON3C19H26 (1)
Stoich.:	ABC3D19E26 (1)
Weight, g/mol:	369.250181
ΔH_f, kcal/mol:	-17.3
Dipole, Da:	3.6
IP(EA), eV:	-8.85(0.33)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

tert-butyl 2-[[1-[2-(methylamino)-2-oxoethyl]piperidin-1-ium-4-yl]carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC1N(CC2CC(=O)N3CC(CCC3N2)Cl)CC4=CC=CC=C4

DOS

IR

Vibrations