Geometry & MOs

Info

ID:	337780
PubChem CID:	127258403
Reduced:	O2C12H13 (2)
Stoich.:	A2B12C13 (2)
Weight, g/mol:	223.96842
ΔH_f, kcal/mol:	-128.8
Dipole, Da:	8.38
IP(EA), eV:	-9.63(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-bromo 1-O-ethyl butanedioate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)/C=C(/C(=O)O)\C(=C/C2=CC=C(C=C2)C(C)C)\C(=O)O)C

DOS

IR

Vibrations