Geometry & MOs

Info

ID:	269221
PubChem CID:	103616402
Reduced:	FNOC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	249.093583
ΔH_f, kcal/mol:	-60.7
Dipole, Da:	3.25
IP(EA), eV:	-8.85(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzothiazol-6-yl)-3-butylurea

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)F)CNC2CC2

DOS

IR

Vibrations