Geometry & MOs

Info

ID:	23477
PubChem CID:	603904
Reduced:	BrO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	284.00481
ΔH_f, kcal/mol:	-111.37
Dipole, Da:	1.75
IP(EA), eV:	-9.98(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(4-bromophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCC(=O)C1=CC=C(C=C1)Br

DOS

IR

Vibrations