Geometry & MOs

Info

ID:	328956
PubChem CID:	126729553
Reduced:	BrClN3O6C20H25 (1)
Stoich.:	ABC3D6E20F25 (1)
Weight, g/mol:	238.154209
ΔH_f, kcal/mol:	-182.9
Dipole, Da:	3.56
IP(EA), eV:	-9.62(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis(azidomethyl)-5-(methoxymethyl)cyclohexane

Drug info:

PubChemData

Smile

CCC1C[C@H](CCO1)N(C2=C(OC3=C(N=C(C=C23)Cl)Br)C(=O)N(C)OC)C(=O)OCC

DOS

IR

Vibrations