Geometry & MOs

Info

ID:	314993
PubChem CID:	126624129
Reduced:	NO5C12H19 (1)
Stoich.:	AB5C12D19 (1)
Weight, g/mol:	393.208613
ΔH_f, kcal/mol:	-227.0
Dipole, Da:	4.89
IP(EA), eV:	-9.1(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[ethyl-(3-methyl-4-oxo-6,7-dihydro-5H-thieno[3,2-c]pyridin-2-yl)amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=C(C[C@H]1C(=O)OC)CO

DOS

IR

Vibrations