Geometry & MOs

Info

ID:	251533
PubChem CID:	103104713
Reduced:	F3O3N5C10H10 (1)
Stoich.:	A3B3C5D10E10 (1)
Weight, g/mol:	291.119461
ΔH_f, kcal/mol:	-135.79
Dipole, Da:	3.62
IP(EA), eV:	-11.31(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-cyclohexyl-5-(trifluoromethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=NON=C2C)C(F)(F)F

DOS

IR

Vibrations