Geometry & MOs

Info

ID:	212377
PubChem CID:	81060305
Reduced:	ON3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	260.082874
ΔH_f, kcal/mol:	-6.36
Dipole, Da:	4.24
IP(EA), eV:	-9.38(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC2CCOC2

DOS

IR

Vibrations