Geometry & MOs

Info

ID:	17045
PubChem CID:	482810
Reduced:	ClO7H27C32 (1)
Stoich.:	AB7C27D32 (1)
Weight, g/mol:	558.144531
ΔH_f, kcal/mol:	-174.0
Dipole, Da:	7.16
IP(EA), eV:	-8.75(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,4-bis(phenylmethoxy)phenyl]-7-(2-chloroethoxy)-4-hydroxy-3-methoxychromen-5-one

Drug info:

PubChemData

Smile

COC1=C(OC2=CC(=CC(=O)C2=C1O)OCCCl)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations