Geometry & MOs

Info

ID:	404100
PubChem CID:	135064962
Reduced:	NO4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	242.080376
ΔH_f, kcal/mol:	-161.01
Dipole, Da:	3.46
IP(EA), eV:	-9.75(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S)-2-(azidomethyl)-5-oxooxolan-2-yl]benzonitrile

Drug info:

PubChemData

Smile

CC(=O)C1COC(N1C(=O)OCC2=CC=CC=C2)(C)C

DOS

IR

Vibrations