Geometry & MOs

Info

ID:	416138
PubChem CID:	135089146
Reduced:	FNO2C18H24 (1)
Stoich.:	ABC2D18E24 (1)
Weight, g/mol:	290.156518
ΔH_f, kcal/mol:	-136.63
Dipole, Da:	4.93
IP(EA), eV:	-9.23(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]-1,3-thiazole

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)C(=O)CC3=CC(=CC=C3)F

DOS

IR

Vibrations