Geometry & MOs

Info

ID:	10431
PubChem CID:	101813
Reduced:	ClNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	281.118257
ΔH_f, kcal/mol:	-102.87
Dipole, Da:	2.5
IP(EA), eV:	-9.0(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations