Geometry & MOs

Info

ID:	76775
PubChem CID:	48425363
Reduced:	F3N3O4C18H24 (1)
Stoich.:	A3B3C4D18E24 (1)
Weight, g/mol:	415.208276
ΔH_f, kcal/mol:	-306.52
Dipole, Da:	1.45
IP(EA), eV:	-9.0(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[1-oxo-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)C2=CC(=CC=C2)OCC(=O)N

DOS

IR

Vibrations