Geometry & MOs

Info

ID:	400393
PubChem CID:	135047781
Reduced:	C8H11 (1)
Stoich.:	A8B11 (1)
Weight, g/mol:	278.024145
ΔH_f, kcal/mol:	26.46
Dipole, Da:	0.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.042275
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;(5S)-5-ethoxy-5-methylcyclohexa-1,3-diene;iron

Drug info:

PubChemData

Smile

C[C@@H]1CC=CC=C[CH]1

DOS

IR

Vibrations