Geometry & MOs

Info

ID:	253448
PubChem CID:	103118545
Reduced:	FON3H10C16 (1)
Stoich.:	ABC3D10E16 (1)
Weight, g/mol:	267.078996
ΔH_f, kcal/mol:	41.92
Dipole, Da:	4.3
IP(EA), eV:	-9.64(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-aminoethyl)-1-(1,3-thiazol-5-ylmethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(C#N)C(=O)C2=C3C=CC=CN3N=C2)F

DOS

IR

Vibrations