Geometry & MOs

Info

ID:	421002
PubChem CID:	135115185
Reduced:	ON2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	337.119319
ΔH_f, kcal/mol:	-48.87
Dipole, Da:	5.8
IP(EA), eV:	-9.21(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C[C@@H]2C[C@@H](C[C@@H]2CC1=O)N(C)CC3=CN=C(N=C3)OC

DOS

IR

Vibrations