Geometry & MOs

Info

ID:	64684
PubChem CID:	29203852
Reduced:	SN3O6C15H21 (1)
Stoich.:	AB3C6D15E21 (1)
Weight, g/mol:	330.120213
ΔH_f, kcal/mol:	-159.68
Dipole, Da:	5.93
IP(EA), eV:	-9.13(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

COCCN(CCOC)C(=O)CSC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

DOS

IR

Vibrations