Geometry & MOs

Info

ID:	290399
PubChem CID:	104451944
Reduced:	SBr2O2H5N5C8 (1)
Stoich.:	AB2C2D5E5F8 (1)
Weight, g/mol:	380.79349
ΔH_f, kcal/mol:	26.66
Dipole, Da:	2.87
IP(EA), eV:	-9.68(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dibromo-2-(4-bromopyrazol-1-yl)pyridine

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1Br)SC2=NN=NN2CC(=O)O)Br

DOS

IR

Vibrations