Geometry & MOs

Info

ID:	359015
PubChem CID:	127297259
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	391.221954
ΔH_f, kcal/mol:	-42.72
Dipole, Da:	5.3
IP(EA), eV:	-8.81(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)CC2CCN(CC2)C(=O)C3=CC=CC4=C3NN=C4

DOS

IR

Vibrations