Geometry & MOs

Info

ID:	76507
PubChem CID:	48425015
Reduced:	F3N3O3C17H24 (1)
Stoich.:	A3B3C3D17E24 (1)
Weight, g/mol:	404.192292
ΔH_f, kcal/mol:	-265.98
Dipole, Da:	2.51
IP(EA), eV:	-8.84(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methoxyphenyl)methoxy]-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCOC1=NC=C(C=C1)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations