Geometry & MOs

Info

ID:	139376
PubChem CID:	52519805
Reduced:	N3O4C19H19 (1)
Stoich.:	A3B4C19D19 (1)
Weight, g/mol:	357.254203
ΔH_f, kcal/mol:	-116.29
Dipole, Da:	3.27
IP(EA), eV:	-8.88(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(3R)-3-(piperidin-1-ium-1-ylmethyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](OC2=CC=CC=C2O1)C(=O)N[C@@H](C)C3=CC4=C(C=C3)NC(=O)N4

DOS

IR

Vibrations