Geometry & MOs

Info

ID:	48219
PubChem CID:	10538092
Reduced:	BrNC11H16 (1)
Stoich.:	ABC11D16 (1)
Weight, g/mol:	242.053886
ΔH_f, kcal/mol:	9.45
Dipole, Da:	3.73
IP(EA), eV:	-9.75(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-nitrooxy-2-phenylpropyl) nitrate

Drug info:

PubChemData

Smile

C[C@@]\1(CCCC/C1=C\Br)CCC#N

DOS

IR

Vibrations