Geometry & MOs

Info

ID:	365753
PubChem CID:	127318478
Reduced:	N3O3C20H33 (1)
Stoich.:	A3B3C20D33 (1)
Weight, g/mol:	376.247441
ΔH_f, kcal/mol:	-147.64
Dipole, Da:	6.86
IP(EA), eV:	-8.8(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylpiperazin-1-yl)-2-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-4-yl]ethanone

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)CC2CCN(CC2)C(=O)C3CC4CCC3O4

DOS

IR

Vibrations