Geometry & MOs

Info

ID:	407750
PubChem CID:	135080505
Reduced:	FN2O2C9H11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	231.056529
ΔH_f, kcal/mol:	-77.27
Dipole, Da:	5.04
IP(EA), eV:	-9.83(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(phenylazaniumyl)propyl sulfate

Drug info:

PubChemData

Smile

C1COCCN1C(=O)[C@]2(C[C@@H]2C#N)F

DOS

IR

Vibrations