Geometry & MOs

Info

ID:	405516
PubChem CID:	135074301
Reduced:	SN2O3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	318.04806
ΔH_f, kcal/mol:	-53.22
Dipole, Da:	5.75
IP(EA), eV:	-8.41(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-iodo-3,3-dimethylbutyl)-3-methoxybenzene

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CC=N2

DOS

IR

Vibrations