Geometry & MOs

Info

ID:	210493
PubChem CID:	80814811
Reduced:	ON5C14H15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	49.52
Dipole, Da:	3.03
IP(EA), eV:	-8.5(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCCNC2=NC(=CN3C2=NC=C3)N

DOS

IR

Vibrations