Geometry & MOs

Info

ID:	58547
PubChem CID:	24702279
Reduced:	SN2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	334.99795
ΔH_f, kcal/mol:	14.57
Dipole, Da:	4.63
IP(EA), eV:	-8.62(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CCCC(=S)N)C1=CC=CC=C1C

DOS

IR

Vibrations