Geometry & MOs

Info

ID:	168121
PubChem CID:	74925914
Reduced:	Cl2O3N4C16H18 (1)
Stoich.:	A2B3C4D16E18 (1)
Weight, g/mol:	316.153541
ΔH_f, kcal/mol:	-126.21
Dipole, Da:	3.13
IP(EA), eV:	-9.93(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-diethyl-5-phenyl-5,6,8,8a-tetrahydro-4aH-pyrimido[4,5-d]pyrimidine-2,4,7-trione

Drug info:

PubChemData

Smile

CCN1C2C(C(NC(=O)N2)C3=C(C=CC=C3Cl)Cl)C(=O)N(C1=O)CC

DOS

IR

Vibrations