Geometry & MOs

Info

ID:	210743
PubChem CID:	80851398
Reduced:	ON4C15H28 (1)
Stoich.:	AB4C15D28 (1)
Weight, g/mol:	266.210661
ΔH_f, kcal/mol:	-58.69
Dipole, Da:	2.92
IP(EA), eV:	-8.6(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol

Drug info:

PubChemData

Smile

CCCC1=C(N=CN=C1NCC(C)(CC(C)C)O)NC

DOS

IR

Vibrations