Geometry & MOs

Info

ID:	34146
PubChem CID:	7890048
Reduced:	ClNO2F3H15C17 (1)
Stoich.:	ABC2D3E15F17 (1)
Weight, g/mol:	365.222903
ΔH_f, kcal/mol:	-213.61
Dipole, Da:	2.73
IP(EA), eV:	-9.63(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2R)-2-phenoxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butan-1-one

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)Cl)NC(=O)COC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations