Geometry & MOs

Info

ID:	272820
PubChem CID:	103759905
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	271.100857
ΔH_f, kcal/mol:	-25.54
Dipole, Da:	3.27
IP(EA), eV:	-9.59(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-ethoxyphenoxy)methyl]-4-fluorobenzonitrile

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2C3C2C4CCC3C4

DOS

IR

Vibrations