Geometry & MOs

Info

ID:	204254
PubChem CID:	79936458
Reduced:	ClO2N3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	265.153875
ΔH_f, kcal/mol:	-76.43
Dipole, Da:	3.21
IP(EA), eV:	-8.65(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-aminopyrazol-1-yl)ethyl]-4-propylpiperazine-2,5-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations