Geometry & MOs

Info

ID:	417379
PubChem CID:	135092967
Reduced:	O3N4C20H30 (1)
Stoich.:	A3B4C20D30 (1)
Weight, g/mol:	442.201634
ΔH_f, kcal/mol:	-120.42
Dipole, Da:	7.45
IP(EA), eV:	-9.62(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-6-fluoro-N-methyl-7-morpholin-4-yl-4-oxo-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=C(NN=C3)C4CCCCC4)C(=O)O

DOS

IR

Vibrations