Geometry & MOs

Info

ID:	423497
PubChem CID:	135119603
Reduced:	ClON5C22H24 (1)
Stoich.:	ABC5D22E24 (1)
Weight, g/mol:	245.189198
ΔH_f, kcal/mol:	22.78
Dipole, Da:	2.66
IP(EA), eV:	-8.56(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylpyrimidin-4-yl)-2-azaspiro[4.6]undecane

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4=C(C5=CC=CC=C5N4)Cl

DOS

IR

Vibrations