Geometry & MOs

Info

ID:	336119
PubChem CID:	127255126
Reduced:	O4N5H9C12 (1)
Stoich.:	A4B5C9D12 (1)
Weight, g/mol:	599.194402
ΔH_f, kcal/mol:	-2.92
Dipole, Da:	5.61
IP(EA), eV:	-9.84(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R)-1-benzoyl-2-(2,4-dimethoxyphenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-9-yl] acetate

Drug info:

PubChemData

Smile

COC1=COC(=CC1=O)C(=O)NC2=CC3=NN=NN3C=C2

DOS

IR

Vibrations