Geometry & MOs

Info

ID:	330658
PubChem CID:	127248065
Reduced:	ClO3N4C16H25 (1)
Stoich.:	AB3C4D16E25 (1)
Weight, g/mol:	349.182398
ΔH_f, kcal/mol:	-85.33
Dipole, Da:	1.94
IP(EA), eV:	-8.58(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2(CCN(C2)C(=O)CCC3=CC(=NO3)Cl)O

DOS

IR

Vibrations