Geometry & MOs

Info

ID:	345476
PubChem CID:	127269776
Reduced:	ClN3O4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	318.07712
ΔH_f, kcal/mol:	-157.76
Dipole, Da:	3.6
IP(EA), eV:	-8.84(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)NC(=O)NCCC2=CC3=C(C(=C2)Cl)OCCO3

DOS

IR

Vibrations