Geometry & MOs

Info

ID:	216624
PubChem CID:	85086514
Reduced:	O3C18H22 (1)
Stoich.:	A3B18C22 (1)
Weight, g/mol:	286.156895
ΔH_f, kcal/mol:	-112.06
Dipole, Da:	3.12
IP(EA), eV:	-9.42(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=C1CCC2(CC1=O)OCCO2)C3=CC=CC=C3

DOS

IR

Vibrations