Geometry & MOs

Info

ID:	378952
PubChem CID:	134228540
Reduced:	N2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	246.997096
ΔH_f, kcal/mol:	91.8
Dipole, Da:	6.96
IP(EA), eV:	-9.58(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-chloropyrimidin-4-yl)-1,3-benzothiazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)C)N2C(=NN=N2)C3CC3

DOS

IR

Vibrations