Geometry & MOs

Info

ID:	232894
PubChem CID:	87577457
Reduced:	PO3C9H11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	266.062618
ΔH_f, kcal/mol:	-135.23
Dipole, Da:	2.28
IP(EA), eV:	-9.14(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1H-indazol-4-yl)-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/COP(O)O

DOS

IR

Vibrations