Geometry & MOs

Info

ID:	389998
PubChem CID:	134996502
Reduced:	Br2O2H8C9 (1)
Stoich.:	A2B2C8D9 (1)
Weight, g/mol:	222.136828
ΔH_f, kcal/mol:	-20.49
Dipole, Da:	0.6
IP(EA), eV:	-9.99(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxyhexyl-oxido-phenyliminoazanium

Drug info:

PubChemData

Smile

C=CC1([C@@H]2C=C[C@@H](O2)C(=C1Br)Br)O

DOS

IR

Vibrations