Geometry & MOs

Info

ID:	296590
PubChem CID:	117585558
Reduced:	ON5C14H15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	247.179696
ΔH_f, kcal/mol:	32.74
Dipole, Da:	1.11
IP(EA), eV:	-9.05(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-aminopiperidin-1-yl)-N-cyclobutylpyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CN(CCC1=O)C2=NC=NC(=C2)NC3=CN=CC=C3

DOS

IR

Vibrations