Geometry & MOs

Info

ID:

407638

PubChem CID:

135080387

Reduced:

N3H8C10 (1)

Stoich.:

A3B8C10 (1)

Weight, g/mol:

268.02296

ΔHf, kcal/mol:

106.4

Dipole, Da:

4.94

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.148861

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-3-bromo-2-chloro-3,7-dimethyloct-6-en-1-ol

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C2=CC=[NH+]N2)C#N

DOS

IR

Vibrations