Geometry & MOs

Info

ID:	51827
PubChem CID:	12014579
Reduced:	O2H10C15 (2)
Stoich.:	A2B10C15 (2)
Weight, g/mol:	500.198759
ΔH_f, kcal/mol:	-27.13
Dipole, Da:	6.09
IP(EA), eV:	-8.91(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-dimethylphenyl)-6-oxo-3,5-diphenylpyran-4-yl] 2,5-dimethylbenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(OC(=O)C(=C2OC(=O)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations