Geometry & MOs

Info

ID:	434083
PubChem CID:	135174240
Reduced:	NC20H39 (1)
Stoich.:	AB20C39 (1)
Weight, g/mol:	237.209264
ΔH_f, kcal/mol:	-51.54
Dipole, Da:	1.67
IP(EA), eV:	-8.9(2.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methyl-6-methylideneazocan-5-yl)hexan-2-one

Drug info:

PubChemData

Smile

CCCCCC(C)C1C[C@]1(C)CCCCC2CCC2NC

DOS

IR

Vibrations