Geometry & MOs

Info

ID:	252399
PubChem CID:	103111099
Reduced:	N2O2C5H9 (2)
Stoich.:	A2B2C5D9 (2)
Weight, g/mol:	280.189926
ΔH_f, kcal/mol:	-122.46
Dipole, Da:	4.28
IP(EA), eV:	-10.27(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-(2-ethylcyclohexyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC(COC)O)CN

DOS

IR

Vibrations