Geometry & MOs

Info

ID:	125855
PubChem CID:	50941561
Reduced:	ON4C14H14 (1)
Stoich.:	AB4C14D14 (1)
Weight, g/mol:	533.169919
ΔH_f, kcal/mol:	58.13
Dipole, Da:	2.47
IP(EA), eV:	-8.48(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-3-[1-[4-oxo-4-(quinolin-8-ylamino)butyl]triazol-4-yl]-2-phenyl-1-benzofuran-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2NC(=O)CCCN=[N+]=[N-]

DOS

IR

Vibrations