Geometry & MOs

Info

ID:	13230
PubChem CID:	223553
Reduced:	BrOH13C14 (1)
Stoich.:	ABC13D14 (1)
Weight, g/mol:	276.01498
ΔH_f, kcal/mol:	-10.27
Dipole, Da:	2.65
IP(EA), eV:	-8.8(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromophenyl)methyl]-4-methylphenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)CC2=CC(=CC=C2)Br

DOS

IR

Vibrations