Geometry & MOs

Info

ID:	356580
PubChem CID:	127291806
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-5.47
Dipole, Da:	3.51
IP(EA), eV:	-8.93(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NO2)C(=O)N3CCN(CC3)CC4=NC=C(O4)C5=CC=CC=C5

DOS

IR

Vibrations