Geometry & MOs

Info

ID:	403010
PubChem CID:	135058301
Reduced:	N2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	278.98949
ΔH_f, kcal/mol:	9.62
Dipole, Da:	3.88
IP(EA), eV:	-9.45(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S)-2-(bromomethyl)-5-oxooxolan-2-yl]benzonitrile

Drug info:

PubChemData

Smile

CCCC1=C2C=C(C=CC2=CN=C1CCC)[N+](=O)[O-]

DOS

IR

Vibrations