Geometry & MOs

Info

ID:	76714
PubChem CID:	48425277
Reduced:	N2O2F3C21H29 (1)
Stoich.:	A2B2C3D21E29 (1)
Weight, g/mol:	388.177391
ΔH_f, kcal/mol:	-232.48
Dipole, Da:	4.65
IP(EA), eV:	-8.76(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2(CCC2)C(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations