Geometry & MOs

Info

ID:	289222
PubChem CID:	104340997
Reduced:	ON5C15H27 (1)
Stoich.:	AB5C15D27 (1)
Weight, g/mol:	279.20591
ΔH_f, kcal/mol:	-26.54
Dipole, Da:	4.79
IP(EA), eV:	-8.74(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(ethoxymethyl)-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)NCC2CCCN(C2)C)NC

DOS

IR

Vibrations