Geometry & MOs

Info

ID:	76527
PubChem CID:	48425043
Reduced:	N2F3O3C16H27 (1)
Stoich.:	A2B3C3D16E27 (1)
Weight, g/mol:	390.224261
ΔH_f, kcal/mol:	-303.57
Dipole, Da:	3.19
IP(EA), eV:	-8.81(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)OCC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations