Geometry & MOs

Info

ID:	152455
PubChem CID:	56311386
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	421.247775
ΔH_f, kcal/mol:	16.74
Dipole, Da:	1.44
IP(EA), eV:	-9.05(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenyl)-1-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=CC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations