Geometry & MOs

Info

ID:	318011
PubChem CID:	126648335
Reduced:	O2C13H14 (1)
Stoich.:	A2B13C14 (1)
Weight, g/mol:	532.253749
ΔH_f, kcal/mol:	-62.8
Dipole, Da:	4.47
IP(EA), eV:	-9.15(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2CCC1C3=C2C(=CC(=C3)C=O)O

DOS

IR

Vibrations