Geometry & MOs

Info

ID:	374647
PubChem CID:	131342093
Reduced:	ClFOC10H10 (1)
Stoich.:	ABCD10E10 (1)
Weight, g/mol:	249.037898
ΔH_f, kcal/mol:	-75.94
Dipole, Da:	1.35
IP(EA), eV:	-9.84(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(chloromethyl)-7-ethyl-1-benzothiophen-6-yl]acetonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations