Geometry & MOs

Info

ID:	392116
PubChem CID:	135013062
Reduced:	N3O5C11H13 (1)
Stoich.:	A3B5C11D13 (1)
Weight, g/mol:	281.101171
ΔH_f, kcal/mol:	-153.37
Dipole, Da:	8.53
IP(EA), eV:	-8.8(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(7-methoxy-2H-pyrazolo[4,3-b]pyridin-3-yl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

C1=CNC2=C(NN=C2C1=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

DOS

IR

Vibrations