Geometry & MOs

Info

ID:	372335
PubChem CID:	131296349
Reduced:	ClO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	239.017163
ΔH_f, kcal/mol:	-95.4
Dipole, Da:	4.56
IP(EA), eV:	-9.63(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloropropanoyl)-5-methylsulfanylbenzonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CCl)CCC(=O)O

DOS

IR

Vibrations