Geometry & MOs

Info

ID:	180288
PubChem CID:	76608622
Reduced:	O2N5C18H27 (1)
Stoich.:	A2B5C18D27 (1)
Weight, g/mol:	430.211724
ΔH_f, kcal/mol:	-49.81
Dipole, Da:	4.15
IP(EA), eV:	-9.06(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[2-(3-pyridin-4-ylphenyl)morpholin-4-yl]-6-pyrimidin-4-yl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CN1C(NC(CC1=O)C2=NC=NC=C2)N3CCOC(C3)C4CCCC4

DOS

IR

Vibrations