Geometry & MOs

Info

ID:	27953
PubChem CID:	824314
Reduced:	ON2Cl3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	303.138992
ΔH_f, kcal/mol:	-65.94
Dipole, Da:	4.17
IP(EA), eV:	-9.65(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3E,4R)-3-[(2-chloro-5-methylanilino)methylidene]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N[C@@H](C(Cl)(Cl)Cl)NC(C)C

DOS

IR

Vibrations