Geometry & MOs

Info

ID:	167749
PubChem CID:	74868637
Reduced:	SO2N4C12H20 (1)
Stoich.:	AB2C4D12E20 (1)
Weight, g/mol:	303.99597
ΔH_f, kcal/mol:	-79.28
Dipole, Da:	4.56
IP(EA), eV:	-8.88(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-6-methyl-3aH-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN(C1=CCCC1)C(=O)CSC2NC(CC(=O)N2)N

DOS

IR

Vibrations