Geometry & MOs

Info

ID:	212514
PubChem CID:	81060775
Reduced:	F3N4H9C12 (1)
Stoich.:	A3B4C9D12 (1)
Weight, g/mol:	323.98719
ΔH_f, kcal/mol:	-65.36
Dipole, Da:	5.85
IP(EA), eV:	-10.3(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-iodopyrazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N2C=C(C=N2)C(F)(F)F

DOS

IR

Vibrations