Geometry & MOs

Info

ID:	381625
PubChem CID:	134972417
Reduced:	BrO2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	167.943004
ΔH_f, kcal/mol:	-56.75
Dipole, Da:	4.43
IP(EA), eV:	-8.42(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1(C=CC2=CC(=C(C=C2O1)Br)O)C

DOS

IR

Vibrations