Geometry & MOs

Info

ID:	422246
PubChem CID:	135117488
Reduced:	FN3O3C17H20 (1)
Stoich.:	AB3C3D17E20 (1)
Weight, g/mol:	286.054277
ΔH_f, kcal/mol:	-120.44
Dipole, Da:	4.6
IP(EA), eV:	-9.18(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[(5-chlorothiophen-2-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=C(C(=CC=C3)OC)F

DOS

IR

Vibrations