Geometry & MOs

Info

ID:	216623
PubChem CID:	85086513
Reduced:	O5C15H26 (1)
Stoich.:	A5B15C26 (1)
Weight, g/mol:	286.156895
ΔH_f, kcal/mol:	-257.04
Dipole, Da:	4.7
IP(EA), eV:	-10.16(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(1-phenylbutylidene)-1,4-dioxaspiro[4.5]decan-7-one

Drug info:

PubChemData

Smile

CCOC(=O)C(=CC(C)C(COC(=O)C(C)(C)C)O)C

DOS

IR

Vibrations