Geometry & MOs

Info

ID:	322818
PubChem CID:	126671261
Reduced:	BrNC8H10 (1)
Stoich.:	ABC8D10 (1)
Weight, g/mol:	240.017577
ΔH_f, kcal/mol:	1.81
Dipole, Da:	3.86
IP(EA), eV:	-9.74(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-(3-ethyl-2-fluorophenyl)thiophene

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)C)Br

DOS

IR

Vibrations