Geometry & MOs

Info

ID:	148394
PubChem CID:	53788056
Reduced:	Br2O2C11H18 (1)
Stoich.:	A2B2C11D18 (1)
Weight, g/mol:	146.13068
ΔH_f, kcal/mol:	-104.84
Dipole, Da:	1.64
IP(EA), eV:	-9.7(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethylhexane-1,2-diol

Drug info:

PubChemData

Smile

CCCCCCCC(=C(OC(=O)C)Br)Br

DOS

IR

Vibrations