Geometry & MOs

Info

ID:	376229
PubChem CID:	134222239
Reduced:	NOF3Cl4H10C17 (1)
Stoich.:	ABC3D4E10F17 (1)
Weight, g/mol:	213.155121
ΔH_f, kcal/mol:	-177.16
Dipole, Da:	2.36
IP(EA), eV:	-9.95(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2-ethenylsulfanyl-6-ethylcyclooctan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1/C=C/C(C2=CC(=C(C(=C2)Cl)Cl)Cl)C(F)(F)F)Cl)C(=O)N

DOS

IR

Vibrations