Geometry & MOs

Info

ID:	356582
PubChem CID:	127291808
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-69.54
Dipole, Da:	8.4
IP(EA), eV:	-9.08(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxolan-2-yl)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCCC1C(=O)N2CCN(CC2)CC3=NC=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations