Geometry & MOs

Info

ID:	448969
PubChem CID:	135294883
Reduced:	N2O3H24C25 (1)
Stoich.:	A2B3C24D25 (1)
Weight, g/mol:	488.211136
ΔH_f, kcal/mol:	-42.76
Dipole, Da:	7.1
IP(EA), eV:	-9.09(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(1-fluorocyclohexyl)methyl]quinolin-8-yl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1/C(=C\CCC2=CC=CC=N2)/C3=CC=C(C=C3)C(=O)O)/C=C(\C)/O

DOS

IR

Vibrations