Geometry & MOs

Info

ID:	331416
PubChem CID:	127248823
Reduced:	O3N6C22H26 (1)
Stoich.:	A3B6C22D26 (1)
Weight, g/mol:	438.181567
ΔH_f, kcal/mol:	-9.59
Dipole, Da:	2.16
IP(EA), eV:	-8.49(-0.36)
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-(2-fluorophenoxy)ethanone

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C(=O)N2CCOC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)OC)N(C)C

DOS

IR

Vibrations