Geometry & MOs

Info

ID:	344288
PubChem CID:	127267464
Reduced:	ON3C8H9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	314.083747
ΔH_f, kcal/mol:	0.55
Dipole, Da:	10.24
IP(EA), eV:	-8.05(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1,3-benzothiazol-2-yl)oxetan-3-yl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=CN1)C(=O)NC2=NC3=CC(=NN3C(=C2)N(C)C)C

DOS

IR

Vibrations