Geometry & MOs

Info

ID:	444510
PubChem CID:	135262705
Reduced:	NO3C8H9 (1)
Stoich.:	AB3C8D9 (1)
Weight, g/mol:	243.147058
ΔH_f, kcal/mol:	-72.21
Dipole, Da:	3.18
IP(EA), eV:	-9.66(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dimethyl-3-[1-(oxiran-2-ylmethoxy)pentan-3-yl]-1,4,2-dioxazole

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CO)C(=O)NO

DOS

IR

Vibrations