Geometry & MOs

Info

ID:	289215
PubChem CID:	104340780
Reduced:	ON5C15H25 (1)
Stoich.:	AB5C15D25 (1)
Weight, g/mol:	289.19026
ΔH_f, kcal/mol:	-8.67
Dipole, Da:	0.95
IP(EA), eV:	-8.92(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[cyclopropyl-[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]propanenitrile

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC(=N1)COC)N(CCC#N)C(C)C

DOS

IR

Vibrations