Geometry & MOs

Info

ID:	377887
PubChem CID:	134223953
Reduced:	ClN2O5C22H29 (1)
Stoich.:	AB2C5D22E29 (1)
Weight, g/mol:	432.226037
ΔH_f, kcal/mol:	-212.63
Dipole, Da:	16.87
IP(EA), eV:	-9.34(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[2-(tert-butylamino)ethyl]-5-methoxy-4-(3-methoxypropoxy)phenyl]-4-oxo-1H-pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)NCCC1=CC(=C(C=C1C2=CC(=O)C(=CN2)C(=O)O)Cl)OCCCOC

DOS

IR

Vibrations