Geometry & MOs

Info

ID:	19582
PubChem CID:	568271
Reduced:	BrO4C8H13 (1)
Stoich.:	AB4C8D13 (1)
Weight, g/mol:	251.99972
ΔH_f, kcal/mol:	-193.52
Dipole, Da:	3.4
IP(EA), eV:	-10.81(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-ethyl 4-O-methyl 2-bromo-2-methylbutanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(CC(=O)OC)Br

DOS

IR

Vibrations