Geometry & MOs

Info

ID:	388234
PubChem CID:	134988575
Reduced:	SO2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	271.06841
ΔH_f, kcal/mol:	-99.98
Dipole, Da:	2.67
IP(EA), eV:	-8.63(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-2-ynyl-4,7-diaza-1-azoniatricyclo[5.2.1.04,10]decane;bromide

Drug info:

PubChemData

Smile

CC1=C(CSC(C1)C(=O)OCC=C(C)C)C

DOS

IR

Vibrations