Geometry & MOs

Info

ID:	279790
PubChem CID:	103845198
Reduced:	OCl2N2H12C16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	258.093918
ΔH_f, kcal/mol:	26.85
Dipole, Da:	5.02
IP(EA), eV:	-8.44(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-ethylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CN=CO2)NCC3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations