Geometry & MOs

Info

ID:	204253
PubChem CID:	79936457
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	281.093104
ΔH_f, kcal/mol:	-95.49
Dipole, Da:	1.94
IP(EA), eV:	-8.26(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-amino-2-chlorophenyl)methyl]-4-ethylpiperazine-2,5-dione

Drug info:

PubChemData

Smile

CN1CC(=O)N(CC1=O)CC2=CC(=C(C=C2)OC)N

DOS

IR

Vibrations