Geometry & MOs

Info

ID:	127500
PubChem CID:	51004289
Reduced:	OC10H14 (1)
Stoich.:	AB10C14 (1)
Weight, g/mol:	352.215078
ΔH_f, kcal/mol:	-20.58
Dipole, Da:	3.73
IP(EA), eV:	-10.07(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S,7S)-1,5,7-trimethyl-7-(5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazol-2-yl)-3-azabicyclo[3.3.1]nonan-2-one

Drug info:

PubChemData

Smile

CC(=O)C1[C@H]2[C@H]1[C@H]3CC[C@@H]2C3

DOS

IR

Vibrations