Geometry & MOs

Info

ID:	359793
PubChem CID:	127299837
Reduced:	ON5C14H21 (1)
Stoich.:	AB5C14D21 (1)
Weight, g/mol:	351.242296
ΔH_f, kcal/mol:	26.96
Dipole, Da:	8.67
IP(EA), eV:	-9.1(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1=NN=C2N1N=C(C=C2)NCCOC3CCCC3

DOS

IR

Vibrations