Geometry & MOs

Info

ID:	418688
PubChem CID:	135106565
Reduced:	ClN2O3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	291.158292
ΔH_f, kcal/mol:	-106.35
Dipole, Da:	6.79
IP(EA), eV:	-9.39(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[(6-methoxypyridin-3-yl)methyl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=CC=CC4=C3C=CC=C4Cl)C(=O)O

DOS

IR

Vibrations