Geometry & MOs

Info

ID:	200991
PubChem CID:	79472064
Reduced:	O2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	265.179027
ΔH_f, kcal/mol:	-43.35
Dipole, Da:	3.93
IP(EA), eV:	-9.79(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCCC1)C2=NNC(=N2)C3CC3

DOS

IR

Vibrations