Geometry & MOs

Info

ID:	331441
PubChem CID:	127248848
Reduced:	ON3C12H15 (2)
Stoich.:	AB3C12D15 (2)
Weight, g/mol:	444.190989
ΔH_f, kcal/mol:	16.31
Dipole, Da:	4.04
IP(EA), eV:	-8.76(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(dimethylamino)-5-pyrimidin-5-ylpyrimidin-4-yl]morpholin-4-yl]-(5-methyl-1-benzofuran-2-yl)methanone

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)CN2CCOC(C2)C3=NC(=NC=C3C4=CN=CN=C4)N(C)C

DOS

IR

Vibrations