Geometry & MOs

Info

ID:	344633
PubChem CID:	127268218
Reduced:	OSN5C19H23 (1)
Stoich.:	ABC5D19E23 (1)
Weight, g/mol:	382.157581
ΔH_f, kcal/mol:	38.51
Dipole, Da:	1.84
IP(EA), eV:	-8.39(-0.41)
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)-2-(4-pyridazin-3-ylpiperazin-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCSC2=CC=CC=C21)N3CCN(CC3)C4=NN=CC=C4

DOS

IR

Vibrations