Geometry & MOs

Info

ID:	151806
PubChem CID:	56310616
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	436.193297
ΔH_f, kcal/mol:	-20.2
Dipole, Da:	5.06
IP(EA), eV:	-9.02(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C2=NOC(=N2)CN3CCN(CC3)C(=O)CC4=CC=CC=C4C

DOS

IR

Vibrations