Geometry & MOs

Info

ID:	212278
PubChem CID:	81059977
Reduced:	N3C17H17 (1)
Stoich.:	A3B17C17 (1)
Weight, g/mol:	274.121846
ΔH_f, kcal/mol:	62.32
Dipole, Da:	4.56
IP(EA), eV:	-8.67(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(4-phenylpyrazol-1-yl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N2CCCC3=CC=CC=C32

DOS

IR

Vibrations