Geometry & MOs

Info

ID:	375307
PubChem CID:	131499891
Reduced:	ClO3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	247.991899
ΔH_f, kcal/mol:	-127.0
Dipole, Da:	4.47
IP(EA), eV:	-9.04(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-7-(trifluoromethyl)-1-benzothiophene-5-carbaldehyde

Drug info:

PubChemData

Smile

CC(C1=C(C(=CC=C1)Cl)O)C(=O)OC

DOS

IR

Vibrations