Geometry & MOs

Info

ID:	378809
PubChem CID:	134224910
Reduced:	ClF2N3O3C24H26 (1)
Stoich.:	AB2C3D3E24F26 (1)
Weight, g/mol:	388.110232
ΔH_f, kcal/mol:	-149.66
Dipole, Da:	2.46
IP(EA), eV:	-8.77(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-(ethylamino)pyrimidin-4-yl]pyridin-2-one

Drug info:

PubChemData

Smile

C/C=C\C(=N/C(=C)NC1CCOCC1)\C2=C(C(=O)N(C=C2)C(CO)C3=CC(=C(C=C3)Cl)F)F

DOS

IR

Vibrations