Geometry & MOs

Info

ID:	289201
PubChem CID:	104339873
Reduced:	O2N5C10H17 (1)
Stoich.:	A2B5C10D17 (1)
Weight, g/mol:	254.174276
ΔH_f, kcal/mol:	-65.55
Dipole, Da:	3.13
IP(EA), eV:	-9.24(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]-ethylamino]ethanol

Drug info:

PubChemData

Smile

COCC1=NC(=CC(=N1)NCCCC(=O)N)N

DOS

IR

Vibrations