Geometry & MOs

Info

ID:	252485
PubChem CID:	103111729
Reduced:	ClO2N4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	238.142976
ΔH_f, kcal/mol:	-18.47
Dipole, Da:	3.64
IP(EA), eV:	-9.69(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations