Geometry & MOs

Info

ID:	144217
PubChem CID:	53333299
Reduced:	FO3N5H16C20 (1)
Stoich.:	AB3C5D16E20 (1)
Weight, g/mol:	407.102982
ΔH_f, kcal/mol:	-79.37
Dipole, Da:	8.58
IP(EA), eV:	-9.43(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-ylmethylamino)-6-(3-fluorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNC2=NC=C3C(=N2)NC(=O)N(C3=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations