Geometry & MOs

Info

ID:	398086
PubChem CID:	135031685
Reduced:	FN2O2C17H17 (1)
Stoich.:	AB2C2D17E17 (1)
Weight, g/mol:	235.084458
ΔH_f, kcal/mol:	-18.13
Dipole, Da:	3.9
IP(EA), eV:	-9.03(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R,11aS)-3,9-dioxo-6,7,7a,8-tetrahydro-5H-[1,3]oxazolo[2,3-j]quinoline-7-carbaldehyde

Drug info:

PubChemData

Smile

CC[C@H]1[C@H]([C@H](NC2=CC=CC=C12)C3=CC=C(C=C3)F)[N+](=O)[O-]

DOS

IR

Vibrations