Geometry & MOs

Info

ID:	352530
PubChem CID:	127283618
Reduced:	ON4C22H24 (1)
Stoich.:	AB4C22D24 (1)
Weight, g/mol:	247.103085
ΔH_f, kcal/mol:	45.69
Dipole, Da:	3.82
IP(EA), eV:	-9.28(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)N4CCC(=C)CC4

DOS

IR

Vibrations