Geometry & MOs

Info

ID:	266882
PubChem CID:	103579864
Reduced:	FCl2N2H11C13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	265.043648
ΔH_f, kcal/mol:	-12.91
Dipole, Da:	3.4
IP(EA), eV:	-8.86(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=NC=C1)NC2=CC(=C(C(=C2)Cl)F)Cl

DOS

IR

Vibrations