Geometry & MOs

Info

ID:	61150
PubChem CID:	26706129
Reduced:	OF3N6H21C22 (1)
Stoich.:	AB3C6D21E22 (1)
Weight, g/mol:	432.123167
ΔH_f, kcal/mol:	-69.65
Dipole, Da:	8.31
IP(EA), eV:	-8.94(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-4-phenyl-1,3-thiazol-5-yl)-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)/C=C/C3=CN(N=N3)CC4=CC=CC=C4

DOS

IR

Vibrations