Geometry & MOs

Info

ID:	373803
PubChem CID:	131320195
Reduced:	O2N3C7H9 (1)
Stoich.:	A2B3C7D9 (1)
Weight, g/mol:	285.92993
ΔH_f, kcal/mol:	-38.02
Dipole, Da:	2.44
IP(EA), eV:	-9.23(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-7-(hydroxymethyl)-1-benzothiophene-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1C(=O)OC)N

DOS

IR

Vibrations