Geometry & MOs

Info

ID:	355273
PubChem CID:	127288205
Reduced:	ON4C17H28 (1)
Stoich.:	AB4C17D28 (1)
Weight, g/mol:	317.221561
ΔH_f, kcal/mol:	-38.07
Dipole, Da:	3.67
IP(EA), eV:	-8.42(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C2=NC=NC(=C2)N3CCCC(C3)CO

DOS

IR

Vibrations