Geometry & MOs

Info

ID:	144215
PubChem CID:	53333240
Reduced:	O2N5C20H23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	417.143704
ΔH_f, kcal/mol:	-52.75
Dipole, Da:	5.1
IP(EA), eV:	-9.05(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C(=O)C3=CN=C(N=C3NC2=O)NC4CCCCC4

DOS

IR

Vibrations