Geometry & MOs

Info

ID:	400394
PubChem CID:	135047782
Reduced:	FeO4C12H14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	138.104465
ΔH_f, kcal/mol:	-16.53
Dipole, Da:	2.09
IP(EA), eV:	-7.67(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-ethoxy-5-methylcyclohexa-1,3-diene

Drug info:

PubChemData

Smile

CCO[C@]1(CC=CC=C1)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

DOS

IR

Vibrations