Geometry & MOs

Info

ID:	417005
PubChem CID:	135091081
Reduced:	N2O3C20H26 (1)
Stoich.:	A2B3C20D26 (1)
Weight, g/mol:	329.135111
ΔH_f, kcal/mol:	-124.94
Dipole, Da:	4.55
IP(EA), eV:	-9.26(0.29)
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]-[6-(trifluoromethyl)pyridin-3-yl]methanone

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3CC4=CC=CC=C4C3)C(=O)O

DOS

IR

Vibrations