Geometry & MOs

Info

ID:	19383
PubChem CID:	562794
Reduced:	SN3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	269.098669
ΔH_f, kcal/mol:	74.66
Dipole, Da:	3.81
IP(EA), eV:	-8.77(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CN(CC2=C1C(=C(S2)N)C#N)CC3=CC=CC=C3

DOS

IR

Vibrations