Geometry & MOs

Info

ID:	251886
PubChem CID:	103107571
Reduced:	O2N5C11H19 (1)
Stoich.:	A2B5C11D19 (1)
Weight, g/mol:	274.052447
ΔH_f, kcal/mol:	-21.74
Dipole, Da:	4.89
IP(EA), eV:	-8.77(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(1,3-benzothiazol-2-ylmethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCN2C=C(N=N2)C(=O)OC

DOS

IR

Vibrations