Geometry & MOs

Info

ID:	169289
PubChem CID:	75085253
Reduced:	ClO5H17C24 (1)
Stoich.:	AB5C17D24 (1)
Weight, g/mol:	342.125594
ΔH_f, kcal/mol:	-83.8
Dipole, Da:	5.82
IP(EA), eV:	-8.71(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-methoxyphenyl)methylidene]-6-phenylchromen-4-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OC(=CC3=CC=C(C=C3)OCC(=O)C4=CC=C(C=C4)Cl)C2=O

DOS

IR

Vibrations