Geometry & MOs

Info

ID:	50146
PubChem CID:	12012653
Reduced:	O2H16C19 (1)
Stoich.:	A2B16C19 (1)
Weight, g/mol:	406.02046
ΔH_f, kcal/mol:	-13.93
Dipole, Da:	5.99
IP(EA), eV:	-9.2(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2=C(C(=O)C(=O)C2)C3=CC=CC=C3

DOS

IR

Vibrations