Geometry & MOs

Info

ID:	175322
PubChem CID:	75882786
Reduced:	BrO4H15C18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	309.112684
ΔH_f, kcal/mol:	-96.36
Dipole, Da:	4.14
IP(EA), eV:	-9.22(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[4-[3-(4-methylphenyl)-3-oxoprop-1-enyl]phenoxy]propanoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)Br)OCCC(=O)O

DOS

IR

Vibrations