Geometry & MOs

Info

ID:	220328
PubChem CID:	85177301
Reduced:	NO4C12H23 (1)
Stoich.:	AB4C12D23 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-230.53
Dipole, Da:	5.91
IP(EA), eV:	-10.08(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-6-hydroxy-2-azabicyclo[3.3.1]nonan-3-one

Drug info:

PubChemData

Smile

CCC(C(C)(C)C(=O)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations