Geometry & MOs

Info

ID:	331370
PubChem CID:	127248777
Reduced:	O3N6C24H28 (1)
Stoich.:	A3B6C24D28 (1)
Weight, g/mol:	417.217618
ΔH_f, kcal/mol:	-20.4
Dipole, Da:	6.02
IP(EA), eV:	-8.77(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-N-(2-methoxyethyl)acetamide

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)C(=O)CCC3=CC=C(C=C3)OC)C4=CN=CN=C4

DOS

IR

Vibrations