Geometry & MOs

Info

ID:	292800
PubChem CID:	117359045
Reduced:	BrOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	242.03063
ΔH_f, kcal/mol:	-50.1
Dipole, Da:	3.1
IP(EA), eV:	-9.23(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-3-methylphenyl)-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)Br)CCCO)C

DOS

IR

Vibrations