Geometry & MOs

Info

ID:	364895
PubChem CID:	127316483
Reduced:	O2F3N3C18H22 (1)
Stoich.:	A2B3C3D18E22 (1)
Weight, g/mol:	343.146681
ΔH_f, kcal/mol:	-216.44
Dipole, Da:	1.14
IP(EA), eV:	-8.77(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyclobutylpiperazin-1-yl)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethanone

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C(=O)CNC(=O)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations