Geometry & MOs

Info

ID:	145431
PubChem CID:	53524201
Reduced:	ON5C12H23 (1)
Stoich.:	AB5C12D23 (1)
Weight, g/mol:	301.099731
ΔH_f, kcal/mol:	-15.18
Dipole, Da:	5.29
IP(EA), eV:	-9.0(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-1,3-benzothiazol-6-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CCN(CC)C(C)CNC(=O)C(C)N1C=NC=N1

DOS

IR

Vibrations