Geometry & MOs

Info

ID:	406525
PubChem CID:	135077958
Reduced:	O5C12H12 (1)
Stoich.:	A5B12C12 (1)
Weight, g/mol:	305.073517
ΔH_f, kcal/mol:	-156.4
Dipole, Da:	1.16
IP(EA), eV:	-9.02(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-(benzylamino)thieno[2,3-b]pyridine-2,5-dicarbonitrile

Drug info:

PubChemData

Smile

COC(=O)OC/C=C\1/COC2=CC=CC=C2O1

DOS

IR

Vibrations