Geometry & MOs

Info

ID:	296588
PubChem CID:	117585554
Reduced:	O2N4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	269.12766
ΔH_f, kcal/mol:	-65.87
Dipole, Da:	5.25
IP(EA), eV:	-8.93(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-4-one

Drug info:

PubChemData

Smile

CC(C)N(C)C1=NC=NC(=C1)N2CCC(C2)C(=O)O

DOS

IR

Vibrations