Geometry & MOs

Info

ID:	50985
PubChem CID:	12013591
Reduced:	NO2C10H17 (1)
Stoich.:	AB2C10D17 (1)
Weight, g/mol:	203.094629
ΔH_f, kcal/mol:	-71.13
Dipole, Da:	3.67
IP(EA), eV:	-9.5(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)[C@H]1C[C@@H]2C(=O)CCN1O2

DOS

IR

Vibrations