Geometry & MOs

Info

ID:	418935
PubChem CID:	135107160
Reduced:	NO2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-164.91
Dipole, Da:	6.85
IP(EA), eV:	-9.05(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)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=CC4=C(C=C3)OCCC4)C(=O)O

DOS

IR

Vibrations