Geometry & MOs

Info

ID:	289214
PubChem CID:	104340763
Reduced:	O3N4C12H22 (1)
Stoich.:	A3B4C12D22 (1)
Weight, g/mol:	291.20591
ΔH_f, kcal/mol:	-104.92
Dipole, Da:	5.97
IP(EA), eV:	-9.03(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]propanenitrile

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)N(C)CC(COC)O)N

DOS

IR

Vibrations