Geometry & MOs

Info

ID:	76497
PubChem CID:	48425003
Reduced:	F3N4O4C15H25 (1)
Stoich.:	A3B4C4D15E25 (1)
Weight, g/mol:	376.208611
ΔH_f, kcal/mol:	-344.51
Dipole, Da:	4.07
IP(EA), eV:	-9.11(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NCC(=O)NCC(=O)N1CCN(CC1)CCCOCC(F)(F)F

DOS

IR

Vibrations