Geometry & MOs

Info

ID:	126486
PubChem CID:	50966299
Reduced:	O2N5C18H27 (1)
Stoich.:	A2B5C18D27 (1)
Weight, g/mol:	341.221561
ΔH_f, kcal/mol:	-61.2
Dipole, Da:	6.32
IP(EA), eV:	-9.3(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-6-propan-2-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCCC1=NC2(CCN(CC2)C(=O)C3=CC(=NN3CC)C)C(=O)N1

DOS

IR

Vibrations