Geometry & MOs

Info

ID:	412680
PubChem CID:	135085594
Reduced:	IO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	233.050299
ΔH_f, kcal/mol:	-52.26
Dipole, Da:	1.35
IP(EA), eV:	-9.46(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CO[C@H]([C@@H]1I)OCC2=CC=CC=C2

DOS

IR

Vibrations