Geometry & MOs

Info

ID:	31903
PubChem CID:	3723193
Reduced:	BrF3N3O3C19H19 (1)
Stoich.:	AB3C3D3E19F19 (1)
Weight, g/mol:	525.170686
ΔH_f, kcal/mol:	-217.12
Dipole, Da:	2.67
IP(EA), eV:	-9.33(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-1-(2,2-dimethylpropanoyl)-2-(3-methoxyphenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC=C(O2)Br)CC(=O)NC3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations