Geometry & MOs

Info

ID:	289182
PubChem CID:	104338861
Reduced:	O2N5C14H23 (1)
Stoich.:	A2B5C14D23 (1)
Weight, g/mol:	280.189926
ΔH_f, kcal/mol:	-64.51
Dipole, Da:	0.99
IP(EA), eV:	-9.04(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC(=N1)COCC)N2CCNC(=O)C2

DOS

IR

Vibrations