Geometry & MOs

Info

ID:	76590
PubChem CID:	48425123
Reduced:	NOF2C10H13 (2)
Stoich.:	ABC2D10E13 (2)
Weight, g/mol:	362.192961
ΔH_f, kcal/mol:	-272.76
Dipole, Da:	2.05
IP(EA), eV:	-8.97(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C1)(C2=CC=C(C=C2)F)C(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations