Geometry & MOs

Info

ID:	367093
PubChem CID:	127323146
Reduced:	ON4C18H24 (1)
Stoich.:	AB4C18D24 (1)
Weight, g/mol:	335.19574
ΔH_f, kcal/mol:	13.72
Dipole, Da:	4.45
IP(EA), eV:	-8.48(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-[2-(4-cyclobutylpiperazin-1-yl)acetyl]-1,3-dimethylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)CCC(=O)NC3=CC=CC(=C3)C#N

DOS

IR

Vibrations