Geometry & MOs

Info

ID:	147888
PubChem CID:	53787547
Reduced:	SO4C12H22 (1)
Stoich.:	AB4C12D22 (1)
Weight, g/mol:	336.02804
ΔH_f, kcal/mol:	-223.15
Dipole, Da:	3.08
IP(EA), eV:	-8.97(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-[3-(4-chlorophenyl)-3-methylbutyl]benzene

Drug info:

PubChemData

Smile

CC(CCCCCCC(=O)O)C(=O)OCCS

DOS

IR

Vibrations