Geometry & MOs

Info

ID:	251534
PubChem CID:	103104714
Reduced:	O2F3N3C12H16 (1)
Stoich.:	A2B3C3D12E16 (1)
Weight, g/mol:	294.093975
ΔH_f, kcal/mol:	-206.06
Dipole, Da:	3.25
IP(EA), eV:	-10.92(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-(dimethylamino)-2-oxoethyl]-5-(trifluoromethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)C2CCCCC2)C(F)(F)F

DOS

IR

Vibrations