Geometry & MOs

Info

ID:	374181
PubChem CID:	131325149
Reduced:	ClON3H6C8 (1)
Stoich.:	ABC3D6E8 (1)
Weight, g/mol:	191.074642
ΔH_f, kcal/mol:	30.22
Dipole, Da:	7.17
IP(EA), eV:	-9.52(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-2-ethyl-3-fluorobenzonitrile

Drug info:

PubChemData

Smile

CN1C=C(C2=CN=C(N=C21)Cl)C=O

DOS

IR

Vibrations