Geometry & MOs

Info

ID:	347497
PubChem CID:	127272352
Reduced:	N2O2C10H11 (2)
Stoich.:	A2B2C10D11 (2)
Weight, g/mol:	344.148455
ΔH_f, kcal/mol:	-133.04
Dipole, Da:	4.97
IP(EA), eV:	-9.33(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CCC2)C(=O)N3CCN(CC3)C(=O)C4=CNC(=O)C=C4

DOS

IR

Vibrations