Geometry & MOs

Info

ID:	172789
PubChem CID:	75553304
Reduced:	N3O3H20C25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	359.126991
ΔH_f, kcal/mol:	-6.46
Dipole, Da:	3.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.380105
Charge, e:	0

Chem-info

IUPAC name:

6-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(C(=NC2=[N+](C1=O)C)C3=CC4=CC=CC=C4C=C3)C5=CC=C(C=C5)OC

DOS

IR

Vibrations