Geometry & MOs

Info

ID:	180287
PubChem CID:	76608590
Reduced:	O2N5C25H27 (1)
Stoich.:	A2B5C25D27 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	16.15
Dipole, Da:	3.69
IP(EA), eV:	-9.07(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyclopentylmorpholin-4-yl)-3-methyl-6-pyrimidin-4-yl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CN1C(NC(CC1=O)C2=NC=NC=C2)N3CCOC(C3)C4=CC=CC(=C4)C5=CC=CC=C5

DOS

IR

Vibrations