Geometry & MOs

Info

ID:	359531
PubChem CID:	127298805
Reduced:	SO2N4C19H28 (1)
Stoich.:	AB2C4D19E28 (1)
Weight, g/mol:	338.185509
ΔH_f, kcal/mol:	-65.33
Dipole, Da:	5.66
IP(EA), eV:	-8.75(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2,4-dimethylpiperazin-1-yl)methyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=CC=CC(=C2)C(=O)N3CCSCC3)C

DOS

IR

Vibrations