Geometry & MOs

Info

ID:	76520
PubChem CID:	48425034
Reduced:	F3N3O3C16H26 (1)
Stoich.:	A3B3C3D16E26 (1)
Weight, g/mol:	410.192961
ΔH_f, kcal/mol:	-291.83
Dipole, Da:	5.05
IP(EA), eV:	-8.93(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations