Geometry & MOs

Info

ID:	76457
PubChem CID:	48424950
Reduced:	N2F3O3C20H25 (1)
Stoich.:	A2B3C3D20E25 (1)
Weight, g/mol:	394.167969
ΔH_f, kcal/mol:	-256.01
Dipole, Da:	4.82
IP(EA), eV:	-8.82(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-difluorophenyl)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=C(O2)C(=O)N3CCN(CC3)CCCOCC(F)(F)F)C

DOS

IR

Vibrations