Geometry & MOs

Info

ID:	269102
PubChem CID:	103613316
Reduced:	INO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	298.077599
ΔH_f, kcal/mol:	-84.72
Dipole, Da:	4.04
IP(EA), eV:	-9.09(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-(1-benzothiophen-5-ylamino)pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCCCCN(C(C)C)C(=O)C1=C(C=CC(=C1)I)O

DOS

IR

Vibrations