Geometry & MOs

Info

ID:	67063
PubChem CID:	46505791
Reduced:	O3C31H40 (1)
Stoich.:	A3B31C40 (1)
Weight, g/mol:	344.214016
ΔH_f, kcal/mol:	-98.51
Dipole, Da:	5.42
IP(EA), eV:	-8.47(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-2,6-dibenzylidene-4-(2-methylbutan-2-yl)cyclohexan-1-one

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C=C1)/C=C/2\CC(C/C(=C/C3=CC=C(C=C3)OCCCCC)/C2=O)C

DOS

IR

Vibrations