Geometry & MOs

Info

ID:	152548
PubChem CID:	56311504
Reduced:	FO2N4C25H31 (1)
Stoich.:	AB2C4D25E31 (1)
Weight, g/mol:	436.258674
ΔH_f, kcal/mol:	-84.39
Dipole, Da:	2.22
IP(EA), eV:	-8.99(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations