Geometry & MOs

Info

ID:	145554
PubChem CID:	53544620
Reduced:	O2F3N3C16H22 (1)
Stoich.:	A2B3C3D16E22 (1)
Weight, g/mol:	329.119798
ΔH_f, kcal/mol:	-225.35
Dipole, Da:	1.97
IP(EA), eV:	-8.88(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-phenyl-1,3-thiazole-4-carbonyl)-3-propan-2-ylpiperazin-2-one

Drug info:

PubChemData

Smile

CC(COC)N1CCN(CC1)C(=O)NC2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations