Geometry & MOs

Info

ID:	438677
PubChem CID:	135228427
Reduced:	NI2O4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	617.8414
ΔH_f, kcal/mol:	-100.88
Dipole, Da:	4.62
IP(EA), eV:	-8.62(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-diiodophenoxy)-1-iodo-3-methyl-5-(2-methylpropyl)benzene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC2=CC(=C(C(=C2)C)O)I)I)C[C@@H](C(=O)O)N

DOS

IR

Vibrations