Geometry & MOs

Info

ID:	416414
PubChem CID:	135089427
Reduced:	ClN3O5C18H20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	332.184841
ΔH_f, kcal/mol:	-144.55
Dipole, Da:	2.39
IP(EA), eV:	-9.51(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C[C@@H]([C@@H]1O)C(=O)O)C(=O)CCCC2=NC(=NO2)C3=CC=CC=C3Cl

DOS

IR

Vibrations