Geometry & MOs

Info

ID:	172525
PubChem CID:	75521388
Reduced:	OSF3N3C9H12 (1)
Stoich.:	ABC3D3E9F12 (1)
Weight, g/mol:	333.162332
ΔH_f, kcal/mol:	-177.29
Dipole, Da:	5.01
IP(EA), eV:	-10.01(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-cyclobutyl-2-methylpyrazol-3-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea

Drug info:

PubChemData

Smile

CCC(C1=NC(=CS1)C(F)(F)F)NCC(=O)N

DOS

IR

Vibrations