Geometry & MOs

Info

ID:	306416
PubChem CID:	125011634
Reduced:	ClO2N4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	334.115127
ΔH_f, kcal/mol:	-1.17
Dipole, Da:	2.17
IP(EA), eV:	-9.69(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-fluoro-2-methoxyphenyl)-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C(=O)N2CCCC[C@@H]2C3=NC=C(O3)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations