Geometry & MOs

Info

ID:	216172
PubChem CID:	85085829
Reduced:	BrO4C7H9 (1)
Stoich.:	AB4C7D9 (1)
Weight, g/mol:	237.024085
ΔH_f, kcal/mol:	-177.45
Dipole, Da:	3.87
IP(EA), eV:	-10.87(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1C2C(C(C1O)Br)OC(=O)C2O

DOS

IR

Vibrations