Geometry & MOs

Info

ID:	333963
PubChem CID:	127252515
Reduced:	ON3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	442.211724
ΔH_f, kcal/mol:	-26.67
Dipole, Da:	1.79
IP(EA), eV:	-9.01(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CN1C=CN=C1C2(CCCC3C2CNC3)O

DOS

IR

Vibrations