Geometry & MOs

Info

ID:	317962
PubChem CID:	126648007
Reduced:	NSO2F3C16H30 (1)
Stoich.:	ABC2D3E16F30 (1)
Weight, g/mol:	489.527351
ΔH_f, kcal/mol:	-291.84
Dipole, Da:	5.29
IP(EA), eV:	-10.11(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-7-hexyl-7,10,10-trimethylheptadec-8-en-9-yl]cyclooctanamine

Drug info:

PubChemData

Smile

CCCCCC(C)(CCC)C1CCN(CC1)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations