Geometry & MOs

Info

ID:	238942
PubChem CID:	93165756
Reduced:	FON3C18H26 (1)
Stoich.:	ABC3D18E26 (1)
Weight, g/mol:	319.205991
ΔH_f, kcal/mol:	-74.09
Dipole, Da:	3.36
IP(EA), eV:	-8.8(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2-fluorophenyl)-2-[(3R)-3-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