Geometry & MOs

Info

ID:	371630
PubChem CID:	131269216
Reduced:	BrOF4H7C10 (1)
Stoich.:	ABC4D7E10 (1)
Weight, g/mol:	281.9714
ΔH_f, kcal/mol:	-228.34
Dipole, Da:	5.53
IP(EA), eV:	-10.37(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(bromomethyl)-4-ethyl-1-benzothiophene-5-carbaldehyde

Drug info:

PubChemData

Smile

CC(=O)C(C1=CC(=C(C=C1)C(F)(F)F)F)Br

DOS

IR

Vibrations