Geometry & MOs

Info

ID:	72848
PubChem CID:	48416611
Reduced:	ClN3O4C20H28 (1)
Stoich.:	AB3C4D20E28 (1)
Weight, g/mol:	354.169191
ΔH_f, kcal/mol:	-163.65
Dipole, Da:	7.35
IP(EA), eV:	-9.24(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCCC(C2)N3CCNC3=O)OCC

DOS

IR

Vibrations