Geometry & MOs

Info

ID:	254287
PubChem CID:	103123991
Reduced:	SO2N5C13H17 (1)
Stoich.:	AB2C5D13E17 (1)
Weight, g/mol:	215.069477
ΔH_f, kcal/mol:	11.08
Dipole, Da:	5.26
IP(EA), eV:	-9.23(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-oxo-1H-imidazol-3-yl)phenoxy]acetonitrile

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=N1)CC2=CN=CS2)C3CCNCC3

DOS

IR

Vibrations