Geometry & MOs

Info

ID:	180279
PubChem CID:	76608552
Reduced:	O3N6C20H22 (1)
Stoich.:	A3B6C20D22 (1)
Weight, g/mol:	393.18009
ΔH_f, kcal/mol:	11.4
Dipole, Da:	4.72
IP(EA), eV:	-9.33(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1-benzofuran-2-yl)morpholin-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=NOC5=CC=CC=C54

DOS

IR

Vibrations