Geometry & MOs

Info

ID:	190444
PubChem CID:	78007453
Reduced:	N5C20H27 (1)
Stoich.:	A5B20C27 (1)
Weight, g/mol:	533.174916
ΔH_f, kcal/mol:	77.99
Dipole, Da:	1.33
IP(EA), eV:	-7.58(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,5-dichloro-4-methylphenyl)methyl]-5-ethyl-2-(2-phenylethynyl)spiro[8,9a-dihydro-3aH-imidazo[2,1-b]purine-7,1'-cyclopentane]-4-one

Drug info:

PubChemData

Smile

C=C1C(=CC=CN)C(=CN1)CC2=CN=C(C=C2)NCCN3CCCC3

DOS

IR

Vibrations