Geometry & MOs

Info

ID:	200815
PubChem CID:	79447368
Reduced:	SCl2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	300.07249
ΔH_f, kcal/mol:	-18.44
Dipole, Da:	2.9
IP(EA), eV:	-8.55(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)-2-(3-methylbutyl)propane-1,3-diol

Drug info:

PubChemData

Smile

C1C(SC2=CC=CC=C21)CC(CCl)CCl

DOS

IR

Vibrations