Geometry & MOs

Info

ID:	76422
PubChem CID:	48424904
Reduced:	N2O2F3C19H27 (1)
Stoich.:	A2B2C3D19E27 (1)
Weight, g/mol:	402.213027
ΔH_f, kcal/mol:	-239.54
Dipole, Da:	4.71
IP(EA), eV:	-8.82(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations