Geometry & MOs

Info

ID:	29074
PubChem CID:	831443
Reduced:	OSN4C16H16 (1)
Stoich.:	ABC4D16E16 (1)
Weight, g/mol:	293.153955
ΔH_f, kcal/mol:	38.17
Dipole, Da:	7.24
IP(EA), eV:	-8.32(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-fluorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CCC1=NC(=NN1)SCC(=O)NC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations