Geometry & MOs

Info

ID:	312741
PubChem CID:	126607686
Reduced:	IO5C28H41 (1)
Stoich.:	AB5C28D41 (1)
Weight, g/mol:	236.214016
ΔH_f, kcal/mol:	-235.7
Dipole, Da:	3.55
IP(EA), eV:	-8.05(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z,7E)-7-tert-butyl-2,2-dimethyldeca-5,7-dien-3-one

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=CC(=C1)OC(C)(C)C)[C@@](C2=C(C=C(C=C2)OC(C)(C)C)OC(C)(C)C)(O)I

DOS

IR

Vibrations