Geometry & MOs

Info

ID:	449849
PubChem CID:	135302093
Reduced:	NO2C11H21 (1)
Stoich.:	AB2C11D21 (1)
Weight, g/mol:	197.141579
ΔH_f, kcal/mol:	-116.18
Dipole, Da:	2.91
IP(EA), eV:	-9.25(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-1-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one

Drug info:

PubChemData

Smile

C[C@@H]1COC[C@H](N1C(=O)C(C)(C)C)C

DOS

IR

Vibrations