Geometry & MOs

Info

ID:	412800
PubChem CID:	135085729
Reduced:	BrClOC13H14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	271.02079
ΔH_f, kcal/mol:	0.63
Dipole, Da:	1.11
IP(EA), eV:	-9.55(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethylamino 4-bromobenzoate

Drug info:

PubChemData

Smile

C=CCC(C1=CC(=CC=C1)Cl)OCC(=C)Br

DOS

IR

Vibrations