Geometry & MOs

Info

ID:	200478
PubChem CID:	79395367
Reduced:	FNOC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	253.124883
ΔH_f, kcal/mol:	-82.63
Dipole, Da:	1.73
IP(EA), eV:	-8.58(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-one

Drug info:

PubChemData

Smile

CCN(CC(=O)C(C)C)C1=CC(=CC=C1)F

DOS

IR

Vibrations