Geometry & MOs

Info

ID:	201248
PubChem CID:	79512287
Reduced:	SO2N4H8C10 (1)
Stoich.:	AB2C4D8E10 (1)
Weight, g/mol:	243.117176
ΔH_f, kcal/mol:	65.27
Dipole, Da:	5.08
IP(EA), eV:	-9.01(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-6-fluorobenzonitrile

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(S2)C3=NON=C3N

DOS

IR

Vibrations