Geometry & MOs

Info

ID:	151009
PubChem CID:	53790706
Reduced:	NSF3O5C11H12 (1)
Stoich.:	ABC3D5E11F12 (1)
Weight, g/mol:	340.38175
ΔH_f, kcal/mol:	-278.07
Dipole, Da:	4.83
IP(EA), eV:	-8.66(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-methylhenicosane-2,3-diamine

Drug info:

PubChemData

Smile

CC=CC1CCC2=C(N(C(=C12)O)OS(=O)(=O)C(F)(F)F)O

DOS

IR

Vibrations