Geometry & MOs

Info

ID:	391604
PubChem CID:	135007018
Reduced:	ClOC13H13 (1)
Stoich.:	ABC13D13 (1)
Weight, g/mol:	296.165054
ΔH_f, kcal/mol:	-29.78
Dipole, Da:	4.62
IP(EA), eV:	-9.6(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[[(1S,4R)-3-cyclopropyl-7-oxabicyclo[2.2.1]hepta-2,5-dien-2-yl]-(4-methoxyphenyl)methylidene]-dimethylazanium

Drug info:

PubChemData

Smile

CC1=CC(=O)CC(C1)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations