Geometry & MOs

Info

ID:	65773
PubChem CID:	46386855
Reduced:	ClO3N4H15C17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	326.149124
ΔH_f, kcal/mol:	-59.47
Dipole, Da:	3.39
IP(EA), eV:	-8.61(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(dimethylamino)ethyl]-1-methyl-7-pyridin-4-ylpyrimido[4,5-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

COC(=O)CNC(=O)NC1=C(NC2=C1C=CC=C2Cl)C3=CC=NC=C3

DOS

IR

Vibrations