Geometry & MOs

Info

ID:	264542
PubChem CID:	103469373
Reduced:	F3N5H6C10 (1)
Stoich.:	A3B5C6D10 (1)
Weight, g/mol:	291.01196
ΔH_f, kcal/mol:	-42.9
Dipole, Da:	1.26
IP(EA), eV:	-9.21(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-6-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CN(N=C1C(F)(F)F)C2=C(C=C(C=N2)C#N)N

DOS

IR

Vibrations