Geometry & MOs

Info

ID:	238941
PubChem CID:	93165755
Reduced:	FON3C18H26 (1)
Stoich.:	ABC3D18E26 (1)
Weight, g/mol:	319.205991
ΔH_f, kcal/mol:	-73.94
Dipole, Da:	3.67
IP(EA), eV:	-8.78(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-fluorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]-1-piperazin-1-ylethanone

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1[C@@H](C2=CC=C(C=C2)F)C(=O)N3CCNCC3

DOS

IR

Vibrations