Geometry & MOs

Info

ID:	21484
PubChem CID:	588627
Reduced:	N3O5H15C27 (1)
Stoich.:	A3B5C15D27 (1)
Weight, g/mol:	461.101171
ΔH_f, kcal/mol:	89.88
Dipole, Da:	4.64
IP(EA), eV:	-9.51(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3',6'-triphenylspiro[1,4,2-dioxazole-5,4'-[1,2]oxazolo[4,5-g][1,2]benzoxazole]-5'-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NOC3=C2C(=O)C4(C5=C3ON=C5C6=CC=CC=C6)OC(=NO4)C7=CC=CC=C7

DOS

IR

Vibrations