Geometry & MOs

Info

ID:	293031
PubChem CID:	117370637
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	-25.33
Dipole, Da:	3.35
IP(EA), eV:	-8.41(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-aminopropan-2-yl)phenyl]piperazine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)N1C=CN(C1=O)C2=CC=C(C=C2)CON

DOS

IR

Vibrations