Geometry & MOs

Info

ID:	407607
PubChem CID:	135080356
Reduced:	FC13H17 (1)
Stoich.:	AB13C17 (1)
Weight, g/mol:	239.119129
ΔH_f, kcal/mol:	-33.0
Dipole, Da:	1.84
IP(EA), eV:	-9.16(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(hexylazaniumyl)propyl sulfate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations