Geometry & MOs

Info

ID:	448776
PubChem CID:	135293535
Reduced:	ON9C19H19 (1)
Stoich.:	AB9C19D19 (1)
Weight, g/mol:	242.085541
ΔH_f, kcal/mol:	126.82
Dipole, Da:	6.76
IP(EA), eV:	-8.77(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-ethoxypyridin-3-yl)-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C2=NC(=CN=C2)N3C4=CC(=NC=C4C=N3)C5=CNN=C5)C=O

DOS

IR

Vibrations