Geometry & MOs

Info

ID:	76712
PubChem CID:	48425275
Reduced:	N2F3O3C19H27 (1)
Stoich.:	A2B3C3D19E27 (1)
Weight, g/mol:	402.193041
ΔH_f, kcal/mol:	-275.45
Dipole, Da:	5.82
IP(EA), eV:	-8.86(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-fluorophenyl)cyclobutyl]-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations