Geometry & MOs

Info

ID:	331447
PubChem CID:	127248854
Reduced:	O3N6C24H28 (1)
Stoich.:	A3B6C24D28 (1)
Weight, g/mol:	448.222289
ΔH_f, kcal/mol:	-15.08
Dipole, Da:	4.53
IP(EA), eV:	-8.88(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(dimethylamino)-5-pyrimidin-5-ylpyrimidin-4-yl]morpholin-4-yl]-2-(4-methoxy-3-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CCOCC1=CC=C(C=C1)C(=O)N2CCOC(C2)C3=NC(=NC=C3C4=CN=CN=C4)N(C)C

DOS

IR

Vibrations