Geometry & MOs

Info

ID:	326763
PubChem CID:	126688154
Reduced:	O2F3N6H23C28 (1)
Stoich.:	A2B3C6D23E28 (1)
Weight, g/mol:	258.153227
ΔH_f, kcal/mol:	-63.08
Dipole, Da:	1.45
IP(EA), eV:	-9.47(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-1-N-(3-methylphenyl)-1-N-propylbenzene-1,3-diamine

Drug info:

PubChemData

Smile

C1C(C1C2=CC(=CN=C2)C(C3=CC(=CC=C3)NC(=O)C4=CC(=NN4C5=CC=CC(=C5)C#N)C(F)(F)F)O)CN

DOS

IR

Vibrations