Geometry & MOs

Info

ID:	374242
PubChem CID:	131325753
Reduced:	BrNO2S2H8C10 (1)
Stoich.:	ABC2D2E8F10 (1)
Weight, g/mol:	206.080376
ΔH_f, kcal/mol:	35.29
Dipole, Da:	4.81
IP(EA), eV:	-8.97(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-amino-1H-pyrazolo[4,3-b]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CSC1=C(C=C(C2=C1SC=C2)CBr)[N+](=O)[O-]

DOS

IR

Vibrations