Geometry & MOs

Info

ID:	294204
PubChem CID:	117435071
Reduced:	BrFOC12H14 (1)
Stoich.:	ABCD12E14 (1)
Weight, g/mol:	272.04119
ΔH_f, kcal/mol:	-87.64
Dipole, Da:	1.38
IP(EA), eV:	-9.54(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-methoxy-2,6-dimethylphenyl)propan-1-ol

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1)Br)F)CC(=O)C

DOS

IR

Vibrations