Geometry & MOs

Info

ID:	265430
PubChem CID:	103520240
Reduced:	OSN2C8H10 (1)
Stoich.:	ABC2D8E10 (1)
Weight, g/mol:	260.061949
ΔH_f, kcal/mol:	10.66
Dipole, Da:	4.15
IP(EA), eV:	-9.06(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethoxy]benzonitrile

Drug info:

PubChemData

Smile

CC1=COC(=N1)SCCCC#N

DOS

IR

Vibrations