Geometry & MOs

Info

ID:	76512
PubChem CID:	48425024
Reduced:	FNOC6H10 (3)
Stoich.:	ABCD6E10 (3)
Weight, g/mol:	386.167808
ΔH_f, kcal/mol:	-315.67
Dipole, Da:	5.58
IP(EA), eV:	-8.92(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC(=O)N1CCCC(C1)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations