Geometry & MOs

Info

ID:	167065
PubChem CID:	74775437
Reduced:	O5H16C19 (1)
Stoich.:	A5B16C19 (1)
Weight, g/mol:	358.097187
ΔH_f, kcal/mol:	-122.33
Dipole, Da:	1.55
IP(EA), eV:	-8.46(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloro-5-methoxy-4-propoxyphenyl)methylidene]-4-hydroxy-3H-inden-1-one

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1OCCO2)C=C3CC4=C(C3=O)C=CC=C4O

DOS

IR

Vibrations