Geometry & MOs

Info

ID:	296589
PubChem CID:	117585557
Reduced:	ON5C14H15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	269.12766
ΔH_f, kcal/mol:	30.22
Dipole, Da:	1.91
IP(EA), eV:	-9.06(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(pyridin-3-ylamino)pyrimidin-4-yl]piperidin-4-one

Drug info:

PubChemData

Smile

C1CN(CCC1=O)C2=NC=NC(=C2)NC3=CC=CC=N3

DOS

IR

Vibrations