Geometry & MOs

Info

ID:	48950
PubChem CID:	11528513
Reduced:	N3O3C8H9 (1)
Stoich.:	A3B3C8D9 (1)
Weight, g/mol:	195.089543
ΔH_f, kcal/mol:	-96.82
Dipole, Da:	2.66
IP(EA), eV:	-10.67(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S,7R)-2-acetyl-9-oxa-2-azatricyclo[5.3.0.01,5]decan-8-one

Drug info:

PubChemData

Smile

C1=C(C=C(N=C1C(=O)N)C(=O)N)CO

DOS

IR

Vibrations