Geometry & MOs

Info

ID:	172790
PubChem CID:	75553305
Reduced:	N3O3H17C21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	359.126991
ΔH_f, kcal/mol:	-8.83
Dipole, Da:	11.26
IP(EA), eV:	-9.42(-2.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2=NC3=NC(=O)NC(=O)C3=C2C4=CC=C(C=C4)OC

DOS

IR

Vibrations