Geometry & MOs

Info

ID:	439273
PubChem CID:	135229040
Reduced:	ON6C12H14 (1)
Stoich.:	AB6C12D14 (1)
Weight, g/mol:	313.226646
ΔH_f, kcal/mol:	55.17
Dipole, Da:	5.99
IP(EA), eV:	-9.02(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-hexan-3-yl-4-N-methyl-5-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1C(C(=NC(=N1)N)N)OCC2=CN3C=CC=CC3=N2

DOS

IR

Vibrations