Geometry & MOs

Info

ID:	55953
PubChem CID:	17397730
Reduced:	NO6C24H25 (1)
Stoich.:	AB6C24D25 (1)
Weight, g/mol:	419.141596
ΔH_f, kcal/mol:	-169.49
Dipole, Da:	7.26
IP(EA), eV:	-8.63(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1OCCO2)/C=C/C(=O)N3CCCC3C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations