Geometry & MOs

Info

ID:	50148
PubChem CID:	12012655
Reduced:	OH5C6 (4)
Stoich.:	AB5C6 (4)
Weight, g/mol:	434.05176
ΔH_f, kcal/mol:	-80.93
Dipole, Da:	5.17
IP(EA), eV:	-9.19(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-6-(2,5-dimethylphenyl)-5-phenyl-1,3-dioxin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C(=O)OC(O2)C3=CC=C(C=C3)OC)C4=CC=CC=C4

DOS

IR

Vibrations