Geometry & MOs

Info

ID:	153027
PubChem CID:	56312143
Reduced:	ON2C13H17 (2)
Stoich.:	AB2C13D17 (2)
Weight, g/mol:	435.263425
ΔH_f, kcal/mol:	-50.99
Dipole, Da:	2.19
IP(EA), eV:	-8.19(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NCC3CCN(C3)C4=CC=CC=C4

DOS

IR

Vibrations