Geometry & MOs

Info

ID:	372486
PubChem CID:	131298443
Reduced:	ClFNC12H15 (1)
Stoich.:	ABCD12E15 (1)
Weight, g/mol:	303.93243
ΔH_f, kcal/mol:	-50.32
Dipole, Da:	3.4
IP(EA), eV:	-9.3(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(bromomethyl)-2-chloro-4-ethoxy-1-benzothiophene

Drug info:

PubChemData

Smile

C1CCC(C1)(CN)C2=CC(=C(C=C2)Cl)F

DOS

IR

Vibrations