Geometry & MOs

Info

ID:	339272
PubChem CID:	127260651
Reduced:	OC14H20 (1)
Stoich.:	AB14C20 (1)
Weight, g/mol:	278.13068
ΔH_f, kcal/mol:	-50.29
Dipole, Da:	3.14
IP(EA), eV:	-9.14(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-2-benzylidene-6-[(5-methylfuran-2-yl)methylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

CC1=CCC(CC1)/C=C\2/CCCCC2=O

DOS

IR

Vibrations