Geometry & MOs

Info

ID:	23471
PubChem CID:	603893
Reduced:	BrO3H11C15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	317.98916
ΔH_f, kcal/mol:	-66.9
Dipole, Da:	2.98
IP(EA), eV:	-9.75(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-acetylphenyl) 4-bromobenzoate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations