Geometry & MOs

Info

ID:	399628
PubChem CID:	135041352
Reduced:	ON2C11H14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	2.47
Dipole, Da:	0.66
IP(EA), eV:	-8.31(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(4-nitrophenyl)-9-azabicyclo[6.1.0]nonane

Drug info:

PubChemData

Smile

C1COCCN1/C=C/C2=CC=CC=N2

DOS

IR

Vibrations