Geometry & MOs

Info

ID:	333790
PubChem CID:	127252342
Reduced:	ON4C13H14 (1)
Stoich.:	AB4C13D14 (1)
Weight, g/mol:	226.121846
ΔH_f, kcal/mol:	39.78
Dipole, Da:	2.53
IP(EA), eV:	-8.77(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-pyridin-2-ylpyrrolidin-1-yl)pyrimidine

Drug info:

PubChemData

Smile

C1COC(CN1C2=NC=CN=C2)C3=CC=CC=N3

DOS

IR

Vibrations