Geometry & MOs

Info

ID:	251541
PubChem CID:	103104751
Reduced:	F3N3O3C12H16 (1)
Stoich.:	A3B3C3D12E16 (1)
Weight, g/mol:	303.094309
ΔH_f, kcal/mol:	-240.26
Dipole, Da:	1.26
IP(EA), eV:	-10.09(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(3-methylimidazol-4-yl)methyl]-5-(trifluoromethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2CCOCC2)C(F)(F)F

DOS

IR

Vibrations