Geometry & MOs

Info

ID:	261108
PubChem CID:	103217856
Reduced:	ClON2F4C11H13 (1)
Stoich.:	ABC2D4E11F13 (1)
Weight, g/mol:	292.151096
ΔH_f, kcal/mol:	-226.08
Dipole, Da:	3.91
IP(EA), eV:	-8.84(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-tert-butyl-3-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)CC(COCC(F)(F)F)NN)Cl

DOS

IR

Vibrations