Geometry & MOs

Info

ID:	210707
PubChem CID:	80843286
Reduced:	ON4C12H22 (1)
Stoich.:	AB4C12D22 (1)
Weight, g/mol:	252.195011
ΔH_f, kcal/mol:	-45.3
Dipole, Da:	3.7
IP(EA), eV:	-8.28(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]pentan-3-ol

Drug info:

PubChemData

Smile

CCC(C)(CNC1=NC(=NC=C1C)NCC)O

DOS

IR

Vibrations