Geometry & MOs

Info

ID:	218393
PubChem CID:	85089274
Reduced:	O2N3F5C22H22 (1)
Stoich.:	A2B3C5D22E22 (1)
Weight, g/mol:	455.205636
ΔH_f, kcal/mol:	-267.81
Dipole, Da:	5.3
IP(EA), eV:	-9.71(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[3-[3-(butylamino)-3-oxopropyl]-2,6-dioxopiperidin-3-yl]-4-oxo-3H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

C1CNC(=O)C(N(C1)C(=O)CC(CC2=CC(=C(C=C2F)F)F)N)CC3=C(C(=CC=C3)F)F

DOS

IR

Vibrations