Geometry & MOs

Info

ID:	205280
PubChem CID:	80079333
Reduced:	N2O3C13H16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	-116.09
Dipole, Da:	3.85
IP(EA), eV:	-10.18(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-amino-5-methylphenyl)-3-ethylpiperazine-2,6-dione

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)C(=O)NC2CCC(C2)C(=O)O

DOS

IR

Vibrations