Geometry & MOs

Info

ID:	26788
PubChem CID:	798366
Reduced:	OCl2N4C10H10 (1)
Stoich.:	AB2C4D10E10 (1)
Weight, g/mol:	303.125929
ΔH_f, kcal/mol:	26.08
Dipole, Da:	4.42
IP(EA), eV:	-9.26(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,6R,7S)-8-methyl-4-naphthalen-1-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(=O)C2=NN(C=C2Cl)C)C)Cl

DOS

IR

Vibrations