Geometry & MOs

Info

ID:	76481
PubChem CID:	48424983
Reduced:	O2F3N3C19H24 (1)
Stoich.:	A2B3C3D19E24 (1)
Weight, g/mol:	406.187955
ΔH_f, kcal/mol:	-204.68
Dipole, Da:	4.42
IP(EA), eV:	-8.43(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-fluorophenoxy)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CN2C=CC3=CC=CC=C32

DOS

IR

Vibrations