Geometry & MOs

Info

ID:	180284
PubChem CID:	76608567
Reduced:	O2N5C19H29 (1)
Stoich.:	A2B5C19D29 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	-52.86
Dipole, Da:	2.85
IP(EA), eV:	-9.32(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[(2-methyl-1-oxo-1-phenylpropan-2-yl)amino]-6-pyrimidin-4-yl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CN1C(NC(CC1=O)C2=NC=NC=C2)N3CCOC4(C3)CCCCCC4

DOS

IR

Vibrations