Geometry & MOs

Info

ID:	252946
PubChem CID:	103115076
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	288.158626
ΔH_f, kcal/mol:	-71.14
Dipole, Da:	3.36
IP(EA), eV:	-9.54(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2-aminoethyl)-5-[(3-methylphenyl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCO)CC2=CC=CC(=C2)C

DOS

IR

Vibrations