Geometry & MOs

Info

ID:	158508
PubChem CID:	56464110
Reduced:	O2N3C12H16 (2)
Stoich.:	A2B3C12D16 (2)
Weight, g/mol:	409.175004
ΔH_f, kcal/mol:	-100.39
Dipole, Da:	7.54
IP(EA), eV:	-9.78(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN1C2=C(C(=CC(=N2)C(C)C)C(=O)NC(C3=NC(=NO3)C4CC4)C(C)C)C(=O)NC1=O

DOS

IR

Vibrations