Geometry & MOs

Info

ID:	359334
PubChem CID:	127298383
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-97.27
Dipole, Da:	6.45
IP(EA), eV:	-8.76(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylpiperazin-1-yl)-2-[1-[4-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]ethanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CC2CCN(CC2)C(=O)C3(CC3)C4=CC=CC=C4OC

DOS

IR

Vibrations