Geometry & MOs

Info

ID:	331477
PubChem CID:	127248884
Reduced:	O3N6C24H26 (1)
Stoich.:	A3B6C24D26 (1)
Weight, g/mol:	401.186318
ΔH_f, kcal/mol:	25.6
Dipole, Da:	5.75
IP(EA), eV:	-8.69(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)CC3=CC4=C(O3)C(=CC=C4)OC)C5=CN=CN=C5

DOS

IR

Vibrations