Geometry & MOs

Info

ID:	416602
PubChem CID:	135089802
Reduced:	FN2O3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	288.183778
ΔH_f, kcal/mol:	-146.92
Dipole, Da:	4.49
IP(EA), eV:	-9.61(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3(CC3)C4=CC=CC=C4F)C(=O)O

DOS

IR

Vibrations