Geometry & MOs

Info

ID:	204255
PubChem CID:	79936459
Reduced:	O2N5C12H19 (1)
Stoich.:	A2B5C12D19 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-46.32
Dipole, Da:	3.75
IP(EA), eV:	-8.43(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-aminophenyl)methyl]-4-propylpiperazine-2,5-dione

Drug info:

PubChemData

Smile

CCCN1CC(=O)N(CC1=O)CCN2C=C(C=N2)N

DOS

IR

Vibrations