Geometry & MOs

Info

ID:	420393
PubChem CID:	135112926
Reduced:	ON4C20H22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	323.140055
ΔH_f, kcal/mol:	46.68
Dipole, Da:	5.8
IP(EA), eV:	-8.76(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-7-(5-chloro-6-methylpyridin-2-yl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

C1C[C@@H]2CN(C[C@@H]2[C@](C1)(C3=CC=CC=C3)O)C4=NN=C5N4C=CC=C5

DOS

IR

Vibrations