Geometry & MOs

Info

ID:	205818
PubChem CID:	80162284
Reduced:	FNOC17H20 (1)
Stoich.:	ABCD17E20 (1)
Weight, g/mol:	255.117176
ΔH_f, kcal/mol:	-60.33
Dipole, Da:	1.83
IP(EA), eV:	-8.62(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-amino-3-fluorophenyl)methyl-methylamino]benzonitrile

Drug info:

PubChemData

Smile

CCC(C)C1=CC=CC=C1OCC2=CC(=C(C=C2)N)F

DOS

IR

Vibrations