Geometry & MOs

Info

ID:	419877
PubChem CID:	135109545
Reduced:	O3N4C19H28 (1)
Stoich.:	A3B4C19D28 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	-99.7
Dipole, Da:	4.54
IP(EA), eV:	-8.88(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-methylpyridin-4-yl)piperazin-1-yl]-5-phenylpentane-1,5-dione

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)CC3=C(OC(=C3)C(=O)N)C(C)(C)C

DOS

IR

Vibrations