Geometry & MOs

Info

ID:	252477
PubChem CID:	103111664
Reduced:	O2N4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	279.144373
ΔH_f, kcal/mol:	-60.32
Dipole, Da:	3.67
IP(EA), eV:	-9.96(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)C2CCCC(C2)C)CN

DOS

IR

Vibrations