Geometry & MOs

Info

ID:	200994
PubChem CID:	79472067
Reduced:	SN2O3C14H22 (1)
Stoich.:	AB2C3D14E22 (1)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	-95.89
Dipole, Da:	2.92
IP(EA), eV:	-8.84(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(4-methyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCCCC1)C2=NC(=NO2)CSCC

DOS

IR

Vibrations