Geometry & MOs

Info

ID:	359016
PubChem CID:	127297260
Reduced:	O4N5C19H29 (1)
Stoich.:	A4B5C19D29 (1)
Weight, g/mol:	375.22704
ΔH_f, kcal/mol:	-179.26
Dipole, Da:	6.89
IP(EA), eV:	-8.83(-0.67)
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]pyrimidin-2-one

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)CC2CCN(CC2)C(=O)CN3C=CC(=O)NC3=O

DOS

IR

Vibrations