Geometry & MOs

Info

ID:	335858
PubChem CID:	127254720
Reduced:	O2N5C22H27 (1)
Stoich.:	A2B5C22D27 (1)
Weight, g/mol:	559.07831
ΔH_f, kcal/mol:	16.28
Dipole, Da:	6.15
IP(EA), eV:	-8.49(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-1-benzoyl-7-bromo-2-phenylspiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N1CCCC1C2=CC=C(C3=CC=CC=C23)OC)N4C=NN=N4

DOS

IR

Vibrations