Geometry & MOs

Info

ID:	323368
PubChem CID:	126674575
Reduced:	NCl3F3O5H11C12 (1)
Stoich.:	AB3C3D5E11F12 (1)
Weight, g/mol:	354.183109
ΔH_f, kcal/mol:	-375.96
Dipole, Da:	5.11
IP(EA), eV:	-9.6(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]-2,6-dimethylphenoxy]oxetane

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1NC(=O)OCC(Cl)(Cl)Cl)OC(F)(F)F)CO

DOS

IR

Vibrations