Geometry & MOs

Info

ID:	135793
PubChem CID:	51937505
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	410.244367
ΔH_f, kcal/mol:	-94.43
Dipole, Da:	2.31
IP(EA), eV:	-8.79(0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)[C@@H](CNC(=O)[C@H]2CCCN(C2)C(=O)CC3=CC=CC=C3)C4=CC=CO4

DOS

IR

Vibrations