Geometry & MOs

Info

ID:	200990
PubChem CID:	79471879
Reduced:	N3O3C10H17 (1)
Stoich.:	A3B3C10D17 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	-95.68
Dipole, Da:	5.73
IP(EA), eV:	-9.93(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)C1=NN=CN1CCOC

DOS

IR

Vibrations