Geometry & MOs

Info

ID:	331369
PubChem CID:	127248776
Reduced:	O3N6C23H26 (1)
Stoich.:	A3B6C23D26 (1)
Weight, g/mol:	448.222289
ΔH_f, kcal/mol:	-13.49
Dipole, Da:	5.77
IP(EA), eV:	-8.76(-0.66)
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-(4-methoxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)C(=O)CC3=CC(=CC=C3)OC)C4=CN=CN=C4

DOS

IR

Vibrations