Geometry & MOs

Info

ID:	12029
PubChem CID:	126430
Reduced:	ClO3N5C10H12 (1)
Stoich.:	AB3C5D10E12 (1)
Weight, g/mol:	285.062867
ΔH_f, kcal/mol:	-69.31
Dipole, Da:	3.42
IP(EA), eV:	-9.0(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S,5S)-2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(chloromethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

C1=NC2=C(NN=C2C(=N1)N)C3[C@@H]([C@@H]([C@H](O3)CCl)O)O

DOS

IR

Vibrations