Geometry & MOs

Info

ID:	197039
PubChem CID:	78912580
Reduced:	N3O3C15H23 (1)
Stoich.:	A3B3C15D23 (1)
Weight, g/mol:	278.174276
ΔH_f, kcal/mol:	-97.21
Dipole, Da:	2.52
IP(EA), eV:	-8.18(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyethylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

COCCNCC(=O)N1CCN(CC1)C2=CC=CC=C2O

DOS

IR

Vibrations