Geometry & MOs

Info

ID:	384211
PubChem CID:	134976537
Reduced:	BrO2C7H7 (1)
Stoich.:	AB2C7D7 (1)
Weight, g/mol:	256.128572
ΔH_f, kcal/mol:	-16.36
Dipole, Da:	2.21
IP(EA), eV:	-10.27(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dimethyl-3-(2-propan-2-ylphenyl)sulfanylbenzene

Drug info:

PubChemData

Smile

CCOC(=O)C#C/C=C\Br

DOS

IR

Vibrations