Geometry & MOs

Info

ID:	266876
PubChem CID:	103579857
Reduced:	FOCl2N2C13H17 (1)
Stoich.:	ABC2D2E13F17 (1)
Weight, g/mol:	251.027998
ΔH_f, kcal/mol:	-101.79
Dipole, Da:	3.68
IP(EA), eV:	-9.06(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-4-fluoro-N-(1-methoxypropan-2-yl)aniline

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C(C)NC1=CC(=C(C(=C1)Cl)F)Cl

DOS

IR

Vibrations