Geometry & MOs

Info

ID:	64733
PubChem CID:	29203922
Reduced:	FN3O3C20H20 (1)
Stoich.:	AB3C3D20E20 (1)
Weight, g/mol:	358.095141
ΔH_f, kcal/mol:	-109.95
Dipole, Da:	3.73
IP(EA), eV:	-8.9(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-fluoro-1-benzothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2F)C(=O)C[C@@H]3C(=O)NC4=CC=CC=C4O3

DOS

IR

Vibrations