Geometry & MOs

Info

ID:	225544
PubChem CID:	85852844
Reduced:	BrO2H3C4 (3)
Stoich.:	AB2C3D4 (3)
Weight, g/mol:	444.206485
ΔH_f, kcal/mol:	-204.14
Dipole, Da:	1.93
IP(EA), eV:	-10.63(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-1-[4-[2-fluoro-4-(3-fluoro-4-propylphenyl)phenyl]phenyl]-4-propylbenzene

Drug info:

PubChemData

Smile

COC(=O)C1=C(C(=C(C(=C1Br)C(=O)OC)Br)C(=O)OC)Br

DOS

IR

Vibrations