Geometry & MOs

Info

ID:	374819
PubChem CID:	131347901
Reduced:	N2O3C7H10 (1)
Stoich.:	A2B3C7D10 (1)
Weight, g/mol:	297.92993
ΔH_f, kcal/mol:	-96.75
Dipole, Da:	1.68
IP(EA), eV:	-9.76(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-bromo-2-formyl-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CN1C(=CN=C1C(=O)OC)CO

DOS

IR

Vibrations