Geometry & MOs

Info

ID:	76516
PubChem CID:	48425029
Reduced:	FNOC5H8 (3)
Stoich.:	ABCD5E8 (3)
Weight, g/mol:	390.224261
ΔH_f, kcal/mol:	-299.21
Dipole, Da:	6.86
IP(EA), eV:	-9.22(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=O)NCC1C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations