Geometry & MOs

Info

ID:	218114
PubChem CID:	85088901
Reduced:	BrCuZnN2O2C12H18 (1)
Stoich.:	ABCD2E2F12G18 (1)
Weight, g/mol:	431.139368
ΔH_f, kcal/mol:	45.86
Dipole, Da:	11.32
IP(EA), eV:	-8.64(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4'-[2-(4-fluorophenyl)-7H-purin-8-yl]spiro[3aH-furo[3,4-c]pyridine-3,1'-cyclohexane]-1,4-dione

Drug info:

PubChemData

Smile

CCC(CC)(CCC#N)[CH-]OC(=O)C.[C-]#N.[Cu+].[Zn+]Br

DOS

IR

Vibrations