Geometry & MOs

Info

ID:	50984
PubChem CID:	12013590
Reduced:	NO2C7H11 (1)
Stoich.:	AB2C7D11 (1)
Weight, g/mol:	183.125929
ΔH_f, kcal/mol:	-54.06
Dipole, Da:	2.85
IP(EA), eV:	-9.63(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,7R)-7-tert-butyl-8-oxa-1-azabicyclo[3.2.1]octan-4-one

Drug info:

PubChemData

Smile

CC1CC2C(=O)CCN1O2

DOS

IR

Vibrations