Geometry & MOs

Info

ID:	67053
PubChem CID:	46505770
Reduced:	OH9C11 (2)
Stoich.:	AB9C11 (2)
Weight, g/mol:	336.172545
ΔH_f, kcal/mol:	-7.95
Dipole, Da:	3.28
IP(EA), eV:	-8.94(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(4-butoxy-3-ethoxyphenyl)methylidene]-3H-inden-1-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC4=CC=CC=C4C=C3)/CC2

DOS

IR

Vibrations