Geometry & MOs

Info

ID:	292801
PubChem CID:	117359056
Reduced:	BrOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	242.03063
ΔH_f, kcal/mol:	-41.61
Dipole, Da:	3.07
IP(EA), eV:	-9.5(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-2,3-dimethylphenyl)propan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(C)(C)CO)Br

DOS

IR

Vibrations