Geometry & MOs

Info

ID:	289142
PubChem CID:	104337500
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	254.116761
ΔH_f, kcal/mol:	-55.17
Dipole, Da:	4.23
IP(EA), eV:	-8.33(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]benzonitrile

Drug info:

PubChemData

Smile

CNC1=NC(=NC(=C1)C2=CC(=C(C=C2)OC)OC)COC

DOS

IR

Vibrations