Geometry & MOs

Info

ID:	435366
PubChem CID:	135191293
Reduced:	SN2O3C10H12 (1)
Stoich.:	AB2C3D10E12 (1)
Weight, g/mol:	309.133808
ΔH_f, kcal/mol:	-86.98
Dipole, Da:	1.39
IP(EA), eV:	-8.99(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-9-benzyl-2-pyrazol-1-yl-6,7-dihydro-3H-purin-8-one

Drug info:

PubChemData

Smile

CN=C(NC(=O)C1=CC(=C(C=C1)O)O)SC

DOS

IR

Vibrations