Geometry & MOs

Info

ID:	419764
PubChem CID:	135108993
Reduced:	O2N4C15H24 (1)
Stoich.:	A2B4C15D24 (1)
Weight, g/mol:	339.098584
ΔH_f, kcal/mol:	-43.9
Dipole, Da:	3.16
IP(EA), eV:	-8.26(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S)-9-(5-chloropyridine-2-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]acetic acid

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3=NC=C(C=N3)OC)CO

DOS

IR

Vibrations