Geometry & MOs

Info

ID:	232685
PubChem CID:	87576719
Reduced:	AgNC18H19 (1)
Stoich.:	ABC18D19 (1)
Weight, g/mol:	481.367519
ΔH_f, kcal/mol:	92.92
Dipole, Da:	4.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.958641
Charge, e:	1

Chem-info

IUPAC name:

2-methylpentadecan-2-yl(3-sulfopropyl)azanium;2-(trimethylazaniumyl)acetate

Drug info:

PubChemData

Smile

CCCCCC1=CC(=CC=C1)C2=CC=CC(=C2)C#N.[Ag]

DOS

IR

Vibrations