Geometry & MOs

Info

ID:	49121
PubChem CID:	11528732
Reduced:	O5C11H18 (1)
Stoich.:	A5B11C18 (1)
Weight, g/mol:	230.094294
ΔH_f, kcal/mol:	-234.84
Dipole, Da:	2.12
IP(EA), eV:	-10.32(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(E)-3-(furan-2-yl)prop-2-enoyl]-3-methylcyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CCCCC(=O)C(C(=O)OCC)OC(=O)C

DOS

IR

Vibrations