Geometry & MOs

Info

ID:	372214
PubChem CID:	131294406
Reduced:	ClFNOC11H15 (1)
Stoich.:	ABCDE11F15 (1)
Weight, g/mol:	288.97721
ΔH_f, kcal/mol:	-98.42
Dipole, Da:	3.67
IP(EA), eV:	-9.65(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-bromo-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)[C@@H]([C@@H](C1=C(C(=CC=C1)Cl)F)O)N

DOS

IR

Vibrations