Geometry & MOs

Info

ID:	372967
PubChem CID:	131307646
Reduced:	FNOH12C13 (1)
Stoich.:	ABCD12E13 (1)
Weight, g/mol:	304.89129
ΔH_f, kcal/mol:	-36.16
Dipole, Da:	1.16
IP(EA), eV:	-10.15(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(bromomethyl)-5-chloro-4-nitro-1-benzothiophene

Drug info:

PubChemData

Smile

C1CCC(C1)(C#N)C(=O)C2=CC=CC=C2F

DOS

IR

Vibrations