Geometry & MOs

Info

ID:	388062
PubChem CID:	134988008
Reduced:	BrO3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	123.068414
ΔH_f, kcal/mol:	-169.68
Dipole, Da:	5.36
IP(EA), eV:	-10.51(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC[C@]1(CCCC[C@@]1(C(=O)O)O)Br

DOS

IR

Vibrations