Geometry & MOs

Info

ID:	252458
PubChem CID:	103111526
Reduced:	O2N4C11H20 (1)
Stoich.:	A2B4C11D20 (1)
Weight, g/mol:	296.221226
ΔH_f, kcal/mol:	-56.13
Dipole, Da:	4.14
IP(EA), eV:	-10.07(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-nonyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCCN1C(=C(N=N1)C(=O)OCC)CN

DOS

IR

Vibrations