Geometry & MOs

Info

ID:	2287
PubChem CID:	6618
Reduced:	O2Br4H12C15 (1)
Stoich.:	A2B4C12D15 (1)
Weight, g/mol:	543.75298
ΔH_f, kcal/mol:	-42.01
Dipole, Da:	2.91
IP(EA), eV:	-9.28(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol

Drug info:

PubChemData

Smile

CC(C)(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)O)Br

DOS

IR

Vibrations