Geometry & MOs

Info

ID:	426098
PubChem CID:	135137318
Reduced:	SO3N6H20C22 (1)
Stoich.:	AB3C6D20E22 (1)
Weight, g/mol:	177.095378
ΔH_f, kcal/mol:	31.19
Dipole, Da:	6.09
IP(EA), eV:	-9.13(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-diethyl-6-fluorobenzonitrile

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C4=NN=C(O4)C5=CC=CC=C5)N

DOS

IR

Vibrations