Geometry & MOs

Info

ID:	144947
PubChem CID:	53436329
Reduced:	O3C14H16 (1)
Stoich.:	A3B14C16 (1)
Weight, g/mol:	196.029107
ΔH_f, kcal/mol:	-115.34
Dipole, Da:	6.76
IP(EA), eV:	-10.2(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-cyclohexa-2,4-dien-1-yl-3H-furan-2-one

Drug info:

PubChemData

Smile

C1CC(CC(C1)C(=O)O)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations