Geometry & MOs

Info

ID:	210464
PubChem CID:	80810241
Reduced:	O2N6C13H18 (1)
Stoich.:	A2B6C13D18 (1)
Weight, g/mol:	287.17461
ΔH_f, kcal/mol:	-15.88
Dipole, Da:	2.2
IP(EA), eV:	-9.35(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(6-methoxypyridin-3-yl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCOC1=NC(=NC(=N1)NCC2=CN=C(C=C2)OC)N

DOS

IR

Vibrations