Geometry & MOs

Info

ID:	222287
PubChem CID:	85296287
Reduced:	FeO6C13H14 (1)
Stoich.:	AB6C13D14 (1)
Weight, g/mol:	322.178024
ΔH_f, kcal/mol:	-31.94
Dipole, Da:	3.91
IP(EA), eV:	-6.2(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl [2-(oxiran-2-yl)-7-phenylmethoxyheptan-3-yl] carbonate

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C=C(C)C(=C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

DOS

IR

Vibrations