Geometry & MOs

Info

ID:	212532
PubChem CID:	81060870
Reduced:	N3C17H27 (1)
Stoich.:	A3B17C27 (1)
Weight, g/mol:	241.09636
ΔH_f, kcal/mol:	-4.86
Dipole, Da:	5.41
IP(EA), eV:	-8.94(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-cyano-2,6-dimethylpyridin-4-yl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCC(C)(C)CNC1=C(C(=NC(=C1)C)C)C#N

DOS

IR

Vibrations