Geometry & MOs

Info

ID:	201189
PubChem CID:	79503402
Reduced:	SO2N4C13H14 (1)
Stoich.:	AB2C4D13E14 (1)
Weight, g/mol:	220.132411
ΔH_f, kcal/mol:	3.45
Dipole, Da:	2.65
IP(EA), eV:	-9.65(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyano-2-methylpyrazol-3-yl)-2,2-dimethylbutanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=C(C=NN2C)C#N

DOS

IR

Vibrations