Geometry & MOs

Info

ID:	29093
PubChem CID:	831559
Reduced:	NOC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	229.110279
ΔH_f, kcal/mol:	-5.39
Dipole, Da:	2.77
IP(EA), eV:	-8.63(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(4-hydroxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one

Drug info:

PubChemData

Smile

C1CN\2CCC1C(=NO)/C2=C\C3=CC=C(C=C3)O

DOS

IR

Vibrations