Geometry & MOs

Info

ID:	300049
PubChem CID:	118043959
Reduced:	FON7H18C22 (1)
Stoich.:	ABC7D18E22 (1)
Weight, g/mol:	252.048797
ΔH_f, kcal/mol:	53.15
Dipole, Da:	4.94
IP(EA), eV:	-9.49(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-piperidin-1-ylthieno[2,3-b]pyridine

Drug info:

PubChemData

Smile

CC[C@@H](C1=NC2=C(C=C(C=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5

DOS

IR

Vibrations