Geometry & MOs

Info

ID:	224050
PubChem CID:	85337539
Reduced:	FN4O4C28H41 (1)
Stoich.:	AB4C4D28E41 (1)
Weight, g/mol:	521.207447
ΔH_f, kcal/mol:	-232.02
Dipole, Da:	6.94
IP(EA), eV:	-8.88(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indol-7-yl]pyrazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCN(CC1)C(=O)C(CC2=CC=C(C=C2)F)NC(=O)C3CNCCN3)C4CCCCC4

DOS

IR

Vibrations