Geometry & MOs

Info

ID:	416590
PubChem CID:	135089738
Reduced:	ON2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	266.108899
ΔH_f, kcal/mol:	-61.73
Dipole, Da:	5.3
IP(EA), eV:	-8.75(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-thiophen-2-ylmethanone

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3=NC=CC(=C3)C(=O)N)CO

DOS

IR

Vibrations