Geometry & MOs

Info

ID:	406293
PubChem CID:	135077132
Reduced:	FeO4C14H16 (1)
Stoich.:	AB4C14D16 (1)
Weight, g/mol:	206.167065
ΔH_f, kcal/mol:	42.65
Dipole, Da:	5.37
IP(EA), eV:	-8.61(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-2-[(5R)-5-methylcyclopenten-1-yl]-6-methylideneoxane

Drug info:

PubChemData

Smile

[CH3-].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1CC2CC=CC(C1)C(=O)[CH-]2.[Fe+2]

DOS

IR

Vibrations