Geometry & MOs

Info

ID:	289212
PubChem CID:	104340584
Reduced:	BrON4C15H19 (1)
Stoich.:	ABC4D15E19 (1)
Weight, g/mol:	291.20591
ΔH_f, kcal/mol:	10.05
Dipole, Da:	5.48
IP(EA), eV:	-9.06(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]-ethylamino]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)Br)NC2=NC(=NC(=C2)NC)COC

DOS

IR

Vibrations