Geometry & MOs

Info

ID:	297139
PubChem CID:	117610220
Reduced:	O4N7C23H27 (1)
Stoich.:	A4B7C23D27 (1)
Weight, g/mol:	174.059326
ΔH_f, kcal/mol:	-45.98
Dipole, Da:	11.14
IP(EA), eV:	-9.52(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-fluorobenzene-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)N2C=NN=N2)[C@@H](CN3C4CCC3CC5(C4)CCN(C5=O)C6=CC(=O)OC6)O

DOS

IR

Vibrations