Geometry & MOs

Info

ID:	359356
PubChem CID:	127298408
Reduced:	O3N5C19H27 (1)
Stoich.:	A3B5C19D27 (1)
Weight, g/mol:	351.252192
ΔH_f, kcal/mol:	-105.5
Dipole, Da:	5.24
IP(EA), eV:	-8.9(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-cyclopentyloxyacetyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CC2CCN(CC2)C(=O)C3=CN=C(C=C3)C(=O)N

DOS

IR

Vibrations