Geometry & MOs

Info

ID:	67509
PubChem CID:	46506610
Reduced:	ClO3N5H20C22 (1)
Stoich.:	AB3C5D20E22 (1)
Weight, g/mol:	374.174276
ΔH_f, kcal/mol:	-44.18
Dipole, Da:	2.88
IP(EA), eV:	-9.2(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,5-dimethylphenyl)methyl]-1-methyl-6-(4-methylphenyl)pyrazolo[4,3-d]pyrimidine-5,7-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C3=C(C=NN3C)N(C2=O)CC(=O)NCC4=CC=CC=C4Cl

DOS

IR

Vibrations