Geometry & MOs

Info

ID:	337566
PubChem CID:	127258189
Reduced:	O4N5C12H13 (1)
Stoich.:	A4B5C12D13 (1)
Weight, g/mol:	267.096754
ΔH_f, kcal/mol:	-90.55
Dipole, Da:	11.67
IP(EA), eV:	-9.43(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@@H]1N2C=C(C3=C2NC(=NC3=O)N)C#N)CO)O

DOS

IR

Vibrations