Geometry & MOs

Info

ID:	1976
PubChem CID:	5480
Reduced:	SN2O2C17H20 (1)
Stoich.:	AB2C2D17E20 (1)
Weight, g/mol:	316.124549
ΔH_f, kcal/mol:	-54.26
Dipole, Da:	1.5
IP(EA), eV:	-8.52(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)N

DOS

IR

Vibrations