Geometry & MOs

Info

ID:	296110
PubChem CID:	117556893
Reduced:	ON5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	249.195346
ΔH_f, kcal/mol:	34.6
Dipole, Da:	2.83
IP(EA), eV:	-8.87(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-aminopiperidin-1-yl)-N-butan-2-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=NC=NC(=C2)NCC3=CC=CO3

DOS

IR

Vibrations