Geometry & MOs

Info

ID:	266858
PubChem CID:	103579771
Reduced:	FNOCl2H12C14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	221.017433
ΔH_f, kcal/mol:	-64.87
Dipole, Da:	4.68
IP(EA), eV:	-8.83(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-4-fluoro-N-propan-2-ylaniline

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNC2=CC(=C(C(=C2)Cl)F)Cl)CO

DOS

IR

Vibrations