Geometry & MOs

Info

ID:	143104
PubChem CID:	53146161
Reduced:	ON5C18H27 (1)
Stoich.:	AB5C18D27 (1)
Weight, g/mol:	331.237211
ΔH_f, kcal/mol:	-13.24
Dipole, Da:	3.69
IP(EA), eV:	-8.4(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-piperidin-1-ylpyrimidin-5-yl)-N-propylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC=C(C=N2)N3CCC(CC3)C(=O)N4CCCC4

DOS

IR

Vibrations