Geometry & MOs

Info

ID:	358560
PubChem CID:	127296192
Reduced:	FN2O3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	335.16452
ΔH_f, kcal/mol:	-161.14
Dipole, Da:	3.56
IP(EA), eV:	-9.43(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[[4-(4-fluorophenyl)oxan-4-yl]amino]acetyl]piperazin-2-one

Drug info:

PubChemData

Smile

C1COCCC1(C2=CC=C(C=C2)F)NCCC(=O)N3CCOCC3

DOS

IR

Vibrations