Geometry & MOs

Info

ID:	389689
PubChem CID:	134994453
Reduced:	NO5C12H17 (1)
Stoich.:	AB5C12D17 (1)
Weight, g/mol:	247.05718
ΔH_f, kcal/mol:	-122.09
Dipole, Da:	4.73
IP(EA), eV:	-9.66(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5R)-1-bromo-5-methyl-1-nitroso-2-propan-2-ylcyclohexane

Drug info:

PubChemData

Smile

CCCCC(C1=CC=CO1)C(C(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations