Geometry & MOs

Info

ID:	292799
PubChem CID:	117359015
Reduced:	BrO2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	242.03063
ΔH_f, kcal/mol:	-55.34
Dipole, Da:	2.04
IP(EA), eV:	-9.25(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)Br)C2(CC2)O

DOS

IR

Vibrations