Geometry & MOs

Info

ID:	210572
PubChem CID:	80824102
Reduced:	O2N5C13H23 (1)
Stoich.:	A2B5C13D23 (1)
Weight, g/mol:	253.132746
ΔH_f, kcal/mol:	-60.18
Dipole, Da:	0.81
IP(EA), eV:	-9.11(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[methyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]benzonitrile

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)OCC)N2CCCOC(C2)C

DOS

IR

Vibrations