Geometry & MOs

Info

ID:	210731
PubChem CID:	80848316
Reduced:	ON5C11H17 (1)
Stoich.:	AB5C11D17 (1)
Weight, g/mol:	238.179361
ΔH_f, kcal/mol:	-9.32
Dipole, Da:	4.86
IP(EA), eV:	-9.18(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[ethyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)NCCC(=O)NC2CC2)N

DOS

IR

Vibrations