Geometry & MOs

Info

ID:	264311
PubChem CID:	103453571
Reduced:	ClFOH8C10 (1)
Stoich.:	ABCD8E10 (1)
Weight, g/mol:	196.109944
ΔH_f, kcal/mol:	-56.14
Dipole, Da:	2.78
IP(EA), eV:	-9.61(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dioxaspiro[4.5]decan-9-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C=CC(=O)CC1=C(C=CC(=C1)F)Cl

DOS

IR

Vibrations