Geometry & MOs

Info

ID:	76508
PubChem CID:	48425016
Reduced:	N2F3O4C19H27 (1)
Stoich.:	A2B3C4D19E27 (1)
Weight, g/mol:	396.17731
ΔH_f, kcal/mol:	-308.69
Dipole, Da:	1.54
IP(EA), eV:	-8.77(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COCC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations