Geometry & MOs

Info

ID:	126630
PubChem CID:	50970883
Reduced:	N3O4C21H23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	345.252861
ΔH_f, kcal/mol:	-75.92
Dipole, Da:	9.97
IP(EA), eV:	-8.98(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-pyridin-3-ylpropanamide

Drug info:

PubChemData

Smile

CCC(CN1C=CN=C1)N2C=C(C(=O)C(=C2)OC3=CC=CC=C3)C(=O)OCC

DOS

IR

Vibrations