Geometry & MOs

Info

ID:	203400
PubChem CID:	79826618
Reduced:	ClON5C14H14 (1)
Stoich.:	ABC5D14E14 (1)
Weight, g/mol:	296.084416
ΔH_f, kcal/mol:	37.51
Dipole, Da:	5.08
IP(EA), eV:	-8.95(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

CC1=CC2=NN=C(N2C(=N1)C)C3=CC(=C(C=C3OC)N)Cl

DOS

IR

Vibrations