Geometry & MOs

Info

ID:	387633
PubChem CID:	134986246
Reduced:	O3C10H18 (1)
Stoich.:	A3B10C18 (1)
Weight, g/mol:	208.14633
ΔH_f, kcal/mol:	-127.51
Dipole, Da:	2.35
IP(EA), eV:	-9.96(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-(cyclohexylmethylidene)hexane-2,5-dione

Drug info:

PubChemData

Smile

CCOC(C1CC1C(=O)C)OCC

DOS

IR

Vibrations