Geometry & MOs

Info

ID:	419168
PubChem CID:	135107669
Reduced:	NF2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	322.10842
ΔH_f, kcal/mol:	-208.39
Dipole, Da:	4.91
IP(EA), eV:	-9.85(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C[C@H]([C@H]1C(=O)O)O)CC2=C(C(=CC=C2)F)F

DOS

IR

Vibrations