Geometry & MOs

Info

ID:	331420
PubChem CID:	127248827
Reduced:	O3N6C23H26 (1)
Stoich.:	A3B6C23D26 (1)
Weight, g/mol:	444.190989
ΔH_f, kcal/mol:	-10.9
Dipole, Da:	6.22
IP(EA), eV:	-8.84(-0.81)
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]-(2-methyl-1-benzofuran-5-yl)methanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)C(=O)C3=CC=C(C=C3)COC)C4=CN=CN=C4

DOS

IR

Vibrations