Geometry & MOs

Info

ID:	400372
PubChem CID:	135047729
Reduced:	FeO4H14C16 (1)
Stoich.:	AB4C14D16 (1)
Weight, g/mol:	186.104465
ΔH_f, kcal/mol:	61.72
Dipole, Da:	1.8
IP(EA), eV:	-7.48(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-3-methoxycyclohexa-2,4-dien-1-yl]benzene

Drug info:

PubChemData

Smile

COC1=C[C@H](CC=C1)C2=CC=CC=C2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

DOS

IR

Vibrations