Geometry & MOs

Info

ID:	225516
PubChem CID:	85852678
Reduced:	NO2Cl3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	480.187642
ΔH_f, kcal/mol:	-100.83
Dipole, Da:	4.78
IP(EA), eV:	-9.3(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-difluoro-1-[3-fluoro-4-(3-fluoro-4-propylphenyl)phenyl]-4-(3-fluoro-4-propylphenyl)benzene

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=CC=C1NC(=O)C(Cl)(Cl)Cl)O

DOS

IR

Vibrations