Geometry & MOs

Info

ID:	270885
PubChem CID:	103638542
Reduced:	N5C12H19 (1)
Stoich.:	A5B12C19 (1)
Weight, g/mol:	253.042216
ΔH_f, kcal/mol:	61.27
Dipole, Da:	6.47
IP(EA), eV:	-8.92(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzothiazol-6-ylamino)pyrazine-2-carbonitrile

Drug info:

PubChemData

Smile

CC(C)N(C)CCCNC1=NC=CN=C1C#N

DOS

IR

Vibrations