Geometry & MOs

Info

ID:	13219
PubChem CID:	223469
Reduced:	BrO2H11C13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	277.99424
ΔH_f, kcal/mol:	-47.67
Dipole, Da:	1.52
IP(EA), eV:	-9.03(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-bromophenyl)methyl]benzene-1,3-diol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC2=C(C=C(C=C2)O)O)Br

DOS

IR

Vibrations