Geometry & MOs

Info

ID:	4145
PubChem CID:	10834
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-69.96
Dipole, Da:	3.54
IP(EA), eV:	-8.92(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) benzoate

Drug info:

PubChemData

Smile

CN1C2CCC1CC(C2)OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations