Geometry & MOs

Info

ID:	395623
PubChem CID:	135026040
Reduced:	OPdH15C18 (1)
Stoich.:	ABC15D18 (1)
Weight, g/mol:	492.193674
ΔH_f, kcal/mol:	91.73
Dipole, Da:	3.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.423232
Charge, e:	0

Chem-info

IUPAC name:

5,7-bis(2-methylbut-3-yn-2-yloxy)-2-phenyl-3-phenylmethoxychromen-4-one

Drug info:

PubChemData

Smile

C1C[C-]1C2C3=CC=CC=C3C=C2C4=CC=CC=C4O.[Pd]

DOS

IR

Vibrations