Geometry & MOs

Info

ID:	421368
PubChem CID:	135115875
Reduced:	ON5C23H25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	41.32
Dipole, Da:	7.49
IP(EA), eV:	-9.0(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[(8-methoxyquinolin-2-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4=CC=CC=C4C5=NC=CN5C

DOS

IR

Vibrations