Geometry & MOs

Info

ID:	180281
PubChem CID:	76608564
Reduced:	O2N5C16H23 (1)
Stoich.:	A2B5C16D23 (1)
Weight, g/mol:	450.274324
ΔH_f, kcal/mol:	-19.04
Dipole, Da:	4.08
IP(EA), eV:	-9.09(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[2-[3-(piperidin-1-ylmethyl)phenyl]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)C4CC4

DOS

IR

Vibrations