Geometry & MOs

Info

ID:	48917
PubChem CID:	11528474
Reduced:	NC6H7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	187.110947
ΔH_f, kcal/mol:	43.68
Dipole, Da:	4.77
IP(EA), eV:	-9.63(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-pyrimidin-5-yl-2-azaspiro[3.4]oct-5-ene

Drug info:

PubChemData

Smile

C1C[C@@H]([C@](C1)(C#N)N)C2=CC=CC=C2

DOS

IR

Vibrations