Geometry & MOs

Info

ID:	287223
PubChem CID:	104234101
Reduced:	FON4C13H17 (1)
Stoich.:	ABC4D13E17 (1)
Weight, g/mol:	270.116841
ΔH_f, kcal/mol:	-27.72
Dipole, Da:	5.94
IP(EA), eV:	-9.06(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(1-aminoethyl)-2-fluorophenoxy]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=NN=C(N1C)COC2=C(C=C(C=C2)C(C)N)F

DOS

IR

Vibrations