Geometry & MOs

Info

ID:	76713
PubChem CID:	48425276
Reduced:	NOF2C10H13 (2)
Stoich.:	ABC2D10E13 (2)
Weight, g/mol:	398.218113
ΔH_f, kcal/mol:	-273.18
Dipole, Da:	3.75
IP(EA), eV:	-8.78(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations