Geometry & MOs

Info

ID:	52231
PubChem CID:	12015036
Reduced:	SO3N4C21H22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	226.085461
ΔH_f, kcal/mol:	-34.89
Dipole, Da:	6.41
IP(EA), eV:	-9.48(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-6-phenyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(N=C1SCC(=O)N2C(=CC(=N2)C)C)C3=CC=CC=C3)C

DOS

IR

Vibrations