Geometry & MOs

Info

ID:	76636
PubChem CID:	48425175
Reduced:	F3N3O3C17H28 (1)
Stoich.:	A3B3C3D17E28 (1)
Weight, g/mol:	348.17731
ΔH_f, kcal/mol:	-312.65
Dipole, Da:	3.96
IP(EA), eV:	-8.73(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,5-dimethylpyrazol-4-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCC(=O)N(CC1)CC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations