Geometry & MOs

Info

ID:	388223
PubChem CID:	134988535
Reduced:	IOSC10H11 (1)
Stoich.:	ABCD10E11 (1)
Weight, g/mol:	201.092042
ΔH_f, kcal/mol:	6.0
Dipole, Da:	4.01
IP(EA), eV:	-8.74(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-chloro-1,4,4-trimethyl-2-oxido-2-azoniabicyclo[3.2.1]oct-2-ene

Drug info:

PubChemData

Smile

CS(=C(C(=O)C1=CC=CC=C1)I)C

DOS

IR

Vibrations