Geometry & MOs

Info

ID:	140121
PubChem CID:	52651661
Reduced:	OF3N3C14H18 (1)
Stoich.:	AB3C3D14E18 (1)
Weight, g/mol:	388.15537
ΔH_f, kcal/mol:	-192.42
Dipole, Da:	1.94
IP(EA), eV:	-9.61(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(2-chloro-5-methylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)NCCC2=CN=CC=C2)C(F)(F)F

DOS

IR

Vibrations