Geometry & MOs

Info

ID:	281306
PubChem CID:	103913676
Reduced:	ClFON2H12C15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	254.121927
ΔH_f, kcal/mol:	-11.34
Dipole, Da:	4.03
IP(EA), eV:	-8.37(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-ethylanilino)methyl]-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NCC2=C(C(=CC=C2)C#N)F)Cl

DOS

IR

Vibrations