Geometry & MOs

Info

ID:	324822
PubChem CID:	126678410
Reduced:	OC10H12 (1)
Stoich.:	AB10C12 (1)
Weight, g/mol:	399.91849
ΔH_f, kcal/mol:	-17.93
Dipole, Da:	1.9
IP(EA), eV:	-7.89(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R)-3,4-diiodopentyl]benzene

Drug info:

PubChemData

Smile

CC1=CC2=C(CC1)C=CCO2

DOS

IR

Vibrations