Geometry & MOs

Info

ID:	172791
PubChem CID:	75553306
Reduced:	N3O3H17C21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	374.150467
ΔH_f, kcal/mol:	-7.89
Dipole, Da:	11.96
IP(EA), eV:	-9.41(-2.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-1,3-dimethyl-6-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations