Geometry & MOs

Info

ID:	76421
PubChem CID:	48424903
Reduced:	N2F3O3C21H31 (1)
Stoich.:	A2B3C3D21E31 (1)
Weight, g/mol:	372.202463
ΔH_f, kcal/mol:	-287.12
Dipole, Da:	5.13
IP(EA), eV:	-8.72(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCCCC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations