Geometry & MOs

Info

ID:	373636
PubChem CID:	131318101
Reduced:	ISO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	281.9714
ΔH_f, kcal/mol:	-72.71
Dipole, Da:	5.48
IP(EA), eV:	-8.61(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromomethyl)-7-ethyl-1-benzothiophene-6-carbaldehyde

Drug info:

PubChemData

Smile

COC1=CSC2=C1C=CC(=C2CC(=O)O)I

DOS

IR

Vibrations