Geometry & MOs

Info

ID:	291391
PubChem CID:	112289783
Reduced:	IF3N3C17H21 (1)
Stoich.:	AB3C3D17E21 (1)
Weight, g/mol:	305.088578
ΔH_f, kcal/mol:	-90.88
Dipole, Da:	6.09
IP(EA), eV:	-9.48(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=NCC#CC2=CC(=CC=C2)C(F)(F)F)N.I

DOS

IR

Vibrations