Geometry & MOs

Info

ID:	76560
PubChem CID:	48425082
Reduced:	N2F3O3C16H29 (1)
Stoich.:	A2B3C3D16E29 (1)
Weight, g/mol:	410.192961
ΔH_f, kcal/mol:	-315.81
Dipole, Da:	5.08
IP(EA), eV:	-9.03(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)COC(C)C(=O)N1CCN(CC1)CCCOCC(F)(F)F

DOS

IR

Vibrations