Geometry & MOs

Info

ID:	315319
PubChem CID:	126625577
Reduced:	F3O4C13H21 (1)
Stoich.:	A3B4C13D21 (1)
Weight, g/mol:	390.06919
ΔH_f, kcal/mol:	-375.85
Dipole, Da:	3.57
IP(EA), eV:	-10.78(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylbutan-2-yl 4-(3-iodopropoxymethyl)benzoate

Drug info:

PubChemData

Smile

CCC(C)(C(C)C)C(=O)OCCC(=O)OCC(F)(F)F

DOS

IR

Vibrations