Geometry & MOs

Info

ID:	289185
PubChem CID:	104338969
Reduced:	ON2C6H11 (2)
Stoich.:	AB2C6D11 (2)
Weight, g/mol:	253.153875
ΔH_f, kcal/mol:	-65.77
Dipole, Da:	4.3
IP(EA), eV:	-8.76(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]acetamide

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)COCC)NCCOC

DOS

IR

Vibrations