Geometry & MOs

Info

ID:	13075
PubChem CID:	220758
Reduced:	SN4H8C11 (1)
Stoich.:	AB4C8D11 (1)
Weight, g/mol:	228.046967
ΔH_f, kcal/mol:	113.8
Dipole, Da:	1.96
IP(EA), eV:	-9.14(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenylpyrazolo[3,4-d]pyrimidine-4-thiol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)S

DOS

IR

Vibrations