Geometry & MOs

Info

ID:	36276
PubChem CID:	8000187
Reduced:	FSN2O2H17C19 (1)
Stoich.:	ABC2D2E17F19 (1)
Weight, g/mol:	260.237825
ΔH_f, kcal/mol:	-67.54
Dipole, Da:	2.25
IP(EA), eV:	-9.13(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(3R)-3,7-dimethyloct-6-enyl]-[(4-methylphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations