Geometry & MOs

Info

ID:	220803
PubChem CID:	85240002
Reduced:	SN5C13H15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	268.070874
ΔH_f, kcal/mol:	96.87
Dipole, Da:	3.53
IP(EA), eV:	-8.84(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]pyrazolo[3,4-d]pyrimidin-6-one

Drug info:

PubChemData

Smile

C1CN2C(=N1)C3CNN(C3NC2=S)C4=CC=CC=C4

DOS

IR

Vibrations