Geometry & MOs

Info

ID:	379994
PubChem CID:	134964443
Reduced:	NC15H21 (1)
Stoich.:	AB15C21 (1)
Weight, g/mol:	299.135528
ΔH_f, kcal/mol:	-2.65
Dipole, Da:	2.33
IP(EA), eV:	-8.09(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-3,3-dimethyl-1-(4-methylphenyl)sulfonylazepane

Drug info:

PubChemData

Smile

C1CC[C@H]2CN(CC[C@@H]2C1)C3=CC=CC=C3

DOS

IR

Vibrations