Geometry & MOs

Info

ID:	423902
PubChem CID:	135120685
Reduced:	NOC9H15 (2)
Stoich.:	ABC9D15 (2)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-83.7
Dipole, Da:	3.61
IP(EA), eV:	-8.86(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-methylamino]methyl]-6-methoxy-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CCCC1=CC=C(O1)CN2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations