Geometry & MOs

Info

ID:	190729
PubChem CID:	78049477
Reduced:	ClN4O4C19H21 (1)
Stoich.:	AB4C4D19E21 (1)
Weight, g/mol:	356.173607
ΔH_f, kcal/mol:	-141.34
Dipole, Da:	9.37
IP(EA), eV:	-8.64(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-6-[4-[2-(methoxymethyl)pyrrolidin-1-yl]phenyl]-2-oxo-3H-pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CNC2=C(C=CC(=C2)N3CC4C(C3)C4N)C5=C1C(=O)C(C(=O)N5)C(=O)O.Cl

DOS

IR

Vibrations