Geometry & MOs

Info

ID:	255893
PubChem CID:	103135456
Reduced:	Cl2N3C11H11 (1)
Stoich.:	A2B3C11D11 (1)
Weight, g/mol:	298.101665
ΔH_f, kcal/mol:	48.09
Dipole, Da:	3.75
IP(EA), eV:	-9.37(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3,5-difluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=C(C=C(C=C2)Cl)Cl)N

DOS

IR

Vibrations