Geometry & MOs

Info

ID:	417309
PubChem CID:	135091992
Reduced:	FON5C11H14 (1)
Stoich.:	ABC5D11E14 (1)
Weight, g/mol:	333.168856
ΔH_f, kcal/mol:	-5.75
Dipole, Da:	4.82
IP(EA), eV:	-9.13(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CN1C=CC=N1)NC2=NC=C(C(=N2)OC)F

DOS

IR

Vibrations