Geometry & MOs

Info

ID:	387030
PubChem CID:	134983738
Reduced:	NOC5H5 (2)
Stoich.:	ABC5D5 (2)
Weight, g/mol:	292.04226
ΔH_f, kcal/mol:	70.98
Dipole, Da:	1.21
IP(EA), eV:	-9.54(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)nitramide

Drug info:

PubChemData

Smile

CN=[N+]([O-])OCC#CC1=CC=CC=C1

DOS

IR

Vibrations