Geometry & MOs

Info

ID:	308000
PubChem CID:	125311188
Reduced:	O2F3N5H14C17 (1)
Stoich.:	A2B3C5D14E17 (1)
Weight, g/mol:	365.137556
ΔH_f, kcal/mol:	-124.45
Dipole, Da:	6.64
IP(EA), eV:	-9.61(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[(5S)-3-(3,5-dimethoxyphenyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]-6-methyl-3H-quinolin-4-one

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=O)N3C(=N2)[C@H](C(=O)N3)N=NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations