Geometry & MOs

Info

ID:	356586
PubChem CID:	127291812
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-71.69
Dipole, Da:	5.61
IP(EA), eV:	-8.97(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1COCCC1C(=O)N2CCN(CC2)CC3=NC=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations