Geometry & MOs

Info

ID:	175319
PubChem CID:	75882783
Reduced:	NO3H16C20 (1)
Stoich.:	AB3C16D20 (1)
Weight, g/mol:	319.120843
ΔH_f, kcal/mol:	28.0
Dipole, Da:	25.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.635003
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-quinolin-2-ylethenyl)phenoxy]propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=N2)C=CC3=CC=C(C=C3)OCCC(=O)[O-]

DOS

IR

Vibrations