Geometry & MOs

Info

ID:	30408
PubChem CID:	841268
Reduced:	ClNO3H8C15 (1)
Stoich.:	ABC3D8E15 (1)
Weight, g/mol:	273.136493
ΔH_f, kcal/mol:	-33.39
Dipole, Da:	2.27
IP(EA), eV:	-9.33(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=NC4=C(C=CC(=C4)Cl)O[C@@]3(C2=O)O

DOS

IR

Vibrations