Geometry & MOs

Info

ID:	76486
PubChem CID:	48424989
Reduced:	N2O2F4C19H26 (1)
Stoich.:	A2B2C4D19E26 (1)
Weight, g/mol:	388.197377
ΔH_f, kcal/mol:	-290.29
Dipole, Da:	4.37
IP(EA), eV:	-8.89(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)N1CCN(CC1)CCCOCC(F)(F)F)C2=CC=C(C=C2)F

DOS

IR

Vibrations