Geometry & MOs

Info

ID:	264754
PubChem CID:	103488726
Reduced:	SN2O3C11H12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-68.63
Dipole, Da:	6.05
IP(EA), eV:	-8.84(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-3-(1-ethoxypropan-2-yloxy)benzonitrile

Drug info:

PubChemData

Smile

C1=COC=C1CNC2=NC(=CS2)CCC(=O)O

DOS

IR

Vibrations