Geometry & MOs

Info

ID:	220713
PubChem CID:	85230652
Reduced:	O3C12H22 (1)
Stoich.:	A3B12C22 (1)
Weight, g/mol:	215.131014
ΔH_f, kcal/mol:	-176.66
Dipole, Da:	3.03
IP(EA), eV:	-10.6(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-phenylethyl)-2-azabicyclo[2.2.1]heptan-6-one

Drug info:

PubChemData

Smile

CC1C(C(C(=O)O1)CCCCC(C)C)O

DOS

IR

Vibrations