Geometry & MOs

Info

ID:	360633
PubChem CID:	127301278
Reduced:	ON7C17H29 (1)
Stoich.:	AB7C17D29 (1)
Weight, g/mol:	362.268176
ΔH_f, kcal/mol:	36.22
Dipole, Da:	7.66
IP(EA), eV:	-8.84(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CC2CCN(CC2)CC3=NN=NN3C4CC4

DOS

IR

Vibrations