Geometry & MOs

Info

ID:	138349
PubChem CID:	52352677
Reduced:	O2N3H19C23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	79.35
Dipole, Da:	8.76
IP(EA), eV:	-9.01(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-acetylpiperidin-4-yl)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-prop-2-ynylamino]acetamide

Drug info:

PubChemData

Smile

C#CCN(CC1=NC(=O)C2=C(N1)C3=CC=CC=C3O2)[C@H]4CCC5=CC=CC=C45

DOS

IR

Vibrations