Geometry & MOs

Info

ID:	50147
PubChem CID:	12012654
Reduced:	BrO3H15C22 (1)
Stoich.:	AB3C15D22 (1)
Weight, g/mol:	372.136159
ΔH_f, kcal/mol:	-26.09
Dipole, Da:	5.11
IP(EA), eV:	-9.56(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-6-(4-methylphenyl)-5-phenyl-1,3-dioxin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(OC(OC2=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4

DOS

IR

Vibrations