Geometry & MOs

Info

ID:	251796
PubChem CID:	103107023
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	277.088498
ΔH_f, kcal/mol:	-35.58
Dipole, Da:	4.85
IP(EA), eV:	-10.26(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyclopropyl-1-(thiophen-2-ylmethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCN1C(=C(N=N1)C(=O)OCC)C2CC2

DOS

IR

Vibrations