Geometry & MOs

Info

ID:	172793
PubChem CID:	75553308
Reduced:	N3O3H22C23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	375.121906
ΔH_f, kcal/mol:	-39.99
Dipole, Da:	6.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.036837
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NC3=[N+](C(=O)N(C(=O)C3=C2C4=CC=C(C=C4)OC)C)C)C

DOS

IR

Vibrations