Geometry & MOs

Info

ID:	212554
PubChem CID:	81060960
Reduced:	BrClN3H11C14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	255.11201
ΔH_f, kcal/mol:	63.79
Dipole, Da:	2.3
IP(EA), eV:	-9.21(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations