Geometry & MOs

Info

ID:	401705
PubChem CID:	135052178
Reduced:	N2C15H17 (1)
Stoich.:	A2B15C17 (1)
Weight, g/mol:	350.070584
ΔH_f, kcal/mol:	37.35
Dipole, Da:	3.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.414627
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-5-piperidin-1-ium-1-ylidene-1,4,2-dithiazole;tetrafluoroborate

Drug info:

PubChemData

Smile

CC(C)(C)C1=C[N+]2=CC=CC3=C2C(=CC=C3)N1

DOS

IR

Vibrations