Geometry & MOs

Info

ID:	275900
PubChem CID:	103818869
Reduced:	OSN3H13C16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	244.078268
ΔH_f, kcal/mol:	67.66
Dipole, Da:	4.67
IP(EA), eV:	-8.57(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC2=CC3=C(C=C2)N=CS3)C#N

DOS

IR

Vibrations