Geometry & MOs

Info

ID:	428645
PubChem CID:	135167842
Reduced:	BrN3O4C12H18 (1)
Stoich.:	AB3C4D12E18 (1)
Weight, g/mol:	255.143471
ΔH_f, kcal/mol:	-94.35
Dipole, Da:	5.42
IP(EA), eV:	-10.06(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-4-(3-fluorophenoxy)-2-methylazocane

Drug info:

PubChemData

Smile

CC(C)(C(=O)OCCN1C=C(N=N1)COCC2CO2)Br

DOS

IR

Vibrations