Geometry & MOs

Info

ID:	407493
PubChem CID:	135080238
Reduced:	FC13H17 (1)
Stoich.:	AB13C17 (1)
Weight, g/mol:	211.087829
ΔH_f, kcal/mol:	-26.67
Dipole, Da:	2.0
IP(EA), eV:	-9.32(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(tert-butylazaniumyl)propyl sulfate

Drug info:

PubChemData

Smile

CC(C)[C@@](CF)(C=C)C1=CC=CC=C1

DOS

IR

Vibrations