Geometry & MOs

Info

ID:	322366
PubChem CID:	126669926
Reduced:	FN2O3C32H35 (1)
Stoich.:	AB2C3D32E35 (1)
Weight, g/mol:	500.247521
ΔH_f, kcal/mol:	-120.76
Dipole, Da:	2.79
IP(EA), eV:	-8.77(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-[3-fluoro-5-[2-[1-[(3-methoxyphenyl)methylamino]ethyl]quinolin-4-yl]phenyl]propanoate

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC=C1)OC)NC(C)C2=NC3=CC=CC=C3C(=C2)C4=CC(=CC(=C4)CCC(=O)OC(C)C)F

DOS

IR

Vibrations