Geometry & MOs

Info

ID:	312726
PubChem CID:	126607594
Reduced:	F2O2N6H16C23 (1)
Stoich.:	A2B2C6D16E23 (1)
Weight, g/mol:	491.303559
ΔH_f, kcal/mol:	-0.47
Dipole, Da:	6.96
IP(EA), eV:	-8.68(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,3-dimethyl-3-[4-(2-oxo-1-pentan-2-ylquinolin-3-yl)phenoxy]butan-2-yl] 2-methylbutanoate

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2=CC=C(C=C2)F)C3=NN4C=C(N=C4C=C3)NC(=O)C5=C(C(=CC=C5)O)F

DOS

IR

Vibrations