Geometry & MOs

Info

ID:	281318
PubChem CID:	103913696
Reduced:	FON3H12C15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	254.121927
ΔH_f, kcal/mol:	-8.79
Dipole, Da:	2.48
IP(EA), eV:	-8.88(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-ethylanilino)methyl]-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)C#N)F)CNC2=CC=C(C=C2)C(=O)N

DOS

IR

Vibrations