Geometry & MOs

Info

ID:	81825
PubChem CID:	49855216
Reduced:	N2O9C22H24 (1)
Stoich.:	A2B9C22D24 (1)
Weight, g/mol:	320.102174
ΔH_f, kcal/mol:	-353.61
Dipole, Da:	4.74
IP(EA), eV:	-8.92(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]1([C@@H]2[C@@H]([C@@H]3[C@@H](C(=O)/C(=C(/N)\O)/C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O)O

DOS

IR

Vibrations