Geometry & MOs

Info

ID:	322365
PubChem CID:	126669925
Reduced:	ON2F3H21C25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	514.263171
ΔH_f, kcal/mol:	-106.25
Dipole, Da:	4.38
IP(EA), eV:	-8.86(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNCC2=NC3=CC=CC=C3C(=C2)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations