Geometry & MOs

Info

ID:	437281
PubChem CID:	135221364
Reduced:	O3N5C11H13 (1)
Stoich.:	A3B5C11D13 (1)
Weight, g/mol:	263.101839
ΔH_f, kcal/mol:	19.16
Dipole, Da:	4.68
IP(EA), eV:	-8.94(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methyl-5-nitropyrazolo[3,4-b]pyridin-6-yl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CN1C2=NC(=C(C=C2C=N1)[N+](=O)[O-])N3CC[C@@H](C3)O

DOS

IR

Vibrations