Geometry & MOs

Info

ID:	204261
PubChem CID:	79936720
Reduced:	O2N4C13H14 (1)
Stoich.:	A2B4C13D14 (1)
Weight, g/mol:	267.077454
ΔH_f, kcal/mol:	-17.58
Dipole, Da:	5.67
IP(EA), eV:	-9.91(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CC(=O)N(CC1=O)CC2=C(N=CC=C2)C#N

DOS

IR

Vibrations