Geometry & MOs

Info

ID:	67060
PubChem CID:	46505784
Reduced:	OC11H15 (2)
Stoich.:	AB11C15 (2)
Weight, g/mol:	350.188195
ΔH_f, kcal/mol:	-86.4
Dipole, Da:	4.51
IP(EA), eV:	-8.78(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(4-butoxy-3-ethoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C=C1)/C=C/2\CCC(C2=O)C3CCCC3

DOS

IR

Vibrations