Geometry & MOs

Info

ID:	168122
PubChem CID:	74925915
Reduced:	O3N4C16H20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	384.203565
ΔH_f, kcal/mol:	-109.48
Dipole, Da:	2.11
IP(EA), eV:	-9.85(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-[4-(diethylamino)phenyl]-1,3-diethyl-6H-pyrimido[4,5-d]pyrimidin-8-ium-2,4,7-trione

Drug info:

PubChemData

Smile

CCN1C2C(C(NC(=O)N2)C3=CC=CC=C3)C(=O)N(C1=O)CC

DOS

IR

Vibrations