Geometry & MOs

Info

ID:	408296
PubChem CID:	135081060
Reduced:	FeO3C13H20 (1)
Stoich.:	AB3C13D20 (1)
Weight, g/mol:	194.13068
ΔH_f, kcal/mol:	-61.3
Dipole, Da:	6.93
IP(EA), eV:	-7.09(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,7R)-5-methoxy-6-methyl-7-propylcyclohepta-2,4-dien-1-one

Drug info:

PubChemData

Smile

[CH3-].CC1(CCCC[C@H]1[CH2-])C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe+2]

DOS

IR

Vibrations