Geometry & MOs

Info

ID:	276459
PubChem CID:	103823407
Reduced:	FN5C13H14 (1)
Stoich.:	AB5C13D14 (1)
Weight, g/mol:	284.132491
ΔH_f, kcal/mol:	51.76
Dipole, Da:	9.17
IP(EA), eV:	-9.68(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-4-[[2-(3-methoxyphenyl)ethylamino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNCC2=C(C=C(C=C2)C#N)F

DOS

IR

Vibrations