Geometry & MOs

Info

ID:	49189
PubChem CID:	11528845
Reduced:	OH4C5 (3)
Stoich.:	AB4C5 (3)
Weight, g/mol:	240.172545
ΔH_f, kcal/mol:	-60.21
Dipole, Da:	1.38
IP(EA), eV:	-9.75(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(14E)-1,4-dioxacyclohexadec-14-en-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)C=O

DOS

IR

Vibrations