Geometry & MOs

Info

ID:	372298
PubChem CID:	131295961
Reduced:	SN2O2C11H12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	223.040006
ΔH_f, kcal/mol:	-48.05
Dipole, Da:	1.98
IP(EA), eV:	-8.5(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloropropanoyl)-2-(hydroxymethyl)benzonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(C(=C1)N)SN=C2C

DOS

IR

Vibrations