Geometry & MOs

Info

ID:	168125
PubChem CID:	74926350
Reduced:	SO4N7C21H25 (1)
Stoich.:	AB4C7D21E25 (1)
Weight, g/mol:	382.211724
ΔH_f, kcal/mol:	-7.47
Dipole, Da:	3.93
IP(EA), eV:	-8.72(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylanilino)-6-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=NNC2=NC(=NN2)SCC(=O)OC3CCCC3)OCN4C=CC=N4

DOS

IR

Vibrations