Geometry & MOs

Info

ID:	344034
PubChem CID:	127267210
Reduced:	BrON6C12H15 (1)
Stoich.:	ABC6D12E15 (1)
Weight, g/mol:	321.094726
ΔH_f, kcal/mol:	32.75
Dipole, Da:	7.98
IP(EA), eV:	-8.71(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(2-fluorophenyl)-1,3-thiazol-2-yl]-4-hydroxypiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC(=O)NCCNC2=CC=CC=N2)Br

DOS

IR

Vibrations