Geometry & MOs

Info

ID:	252474
PubChem CID:	103111650
Reduced:	ON4C14H20 (1)
Stoich.:	AB4C14D20 (1)
Weight, g/mol:	280.099397
ΔH_f, kcal/mol:	-5.16
Dipole, Da:	1.93
IP(EA), eV:	-8.33(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-(2-thiophen-3-ylethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=NC2=CC=CC=C2N1C

DOS

IR

Vibrations