Geometry & MOs

Info

ID:	331450
PubChem CID:	127248857
Reduced:	O3N6C24H28 (1)
Stoich.:	A3B6C24D28 (1)
Weight, g/mol:	448.222289
ΔH_f, kcal/mol:	-22.78
Dipole, Da:	5.09
IP(EA), eV:	-8.79(-0.64)
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]-3-(2-methylphenoxy)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)CC(=O)N2CCOC(C2)C3=NC(=NC=C3C4=CN=CN=C4)N(C)C

DOS

IR

Vibrations