Geometry & MOs

Info

ID:	55647
PubChem CID:	17395731
Reduced:	ON3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	284.073182
ΔH_f, kcal/mol:	0.06
Dipole, Da:	2.14
IP(EA), eV:	-8.74(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C2=C(N=CC=C2)N3CCCC3

DOS

IR

Vibrations