Geometry & MOs

Info

ID:	435241
PubChem CID:	135185876
Reduced:	F3N5H8C14 (1)
Stoich.:	A3B5C8D14 (1)
Weight, g/mol:	358.12772
ΔH_f, kcal/mol:	-28.32
Dipole, Da:	3.23
IP(EA), eV:	-9.85(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[[1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinolin-5-yl]oxy]pyrimidin-4-yl]methylcarbamic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C#N)N(C(=N2)C3=CN=CN=C3)CC(F)(F)F

DOS

IR

Vibrations