Geometry & MOs

Info

ID:	289237
PubChem CID:	104341354
Reduced:	ON4C15H26 (1)
Stoich.:	AB4C15D26 (1)
Weight, g/mol:	283.14331
ΔH_f, kcal/mol:	-42.74
Dipole, Da:	4.64
IP(EA), eV:	-8.85(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CCCC1CCN(CC1)C2=NC(=NC(=C2)N)COCC

DOS

IR

Vibrations