Geometry & MOs

Info

ID:	167260
PubChem CID:	74799169
Reduced:	ON3C23H35 (1)
Stoich.:	AB3C23D35 (1)
Weight, g/mol:	396.265102
ΔH_f, kcal/mol:	81.72
Dipole, Da:	2.9
IP(EA), eV:	-3.47(0.52)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-cyclopropyl-1-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(C[NH+](C1)C2CC[NH+](CC2)C3CC4=CC=CC=C4C3)C(=O)NC5CC5

DOS

IR

Vibrations