Geometry & MOs

Info

ID:	359794
PubChem CID:	127299838
Reduced:	N5C21H29 (1)
Stoich.:	A5B21C29 (1)
Weight, g/mol:	352.226312
ΔH_f, kcal/mol:	40.6
Dipole, Da:	2.46
IP(EA), eV:	-8.77(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-cyclopentyloxypiperidin-1-yl)-6-ethyl-2-pyridin-2-ylpyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CC=CC=N2)NC3CCN(CC3)CC4CCCC4

DOS

IR

Vibrations