Geometry & MOs

Info

ID:	268819
PubChem CID:	103601092
Reduced:	ClSO2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	203.131014
ΔH_f, kcal/mol:	-81.26
Dipole, Da:	1.41
IP(EA), eV:	-8.89(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-butan-2-ylphenoxy)propanenitrile

Drug info:

PubChemData

Smile

COC(=O)CCSCC1=CC=CC=C1Cl

DOS

IR

Vibrations