Geometry & MOs

Info

ID:	375382
PubChem CID:	131500148
Reduced:	O2N5C9H15 (1)
Stoich.:	A2B5C9D15 (1)
Weight, g/mol:	299.94558
ΔH_f, kcal/mol:	-30.35
Dipole, Da:	3.85
IP(EA), eV:	-9.64(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(bromomethyl)-7-hydroxy-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CN1CCN2C(=NC(=N2)C(C(=O)OC)N)C1

DOS

IR

Vibrations