Geometry & MOs

Info

ID:	446826
PubChem CID:	135278026
Reduced:	ON5C28H31 (1)
Stoich.:	AB5C28D31 (1)
Weight, g/mol:	634.7951
ΔH_f, kcal/mol:	103.14
Dipole, Da:	11.05
IP(EA), eV:	-9.14(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-2,5,8-triiodo-6,7-dimethyl-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

C/C=C(\C=C(/C(=C)C)\C(=C/C)\C1=CC(=NC=C1)C#N)/C2=CC(=CN=C2)NC(=O)/C=C/CN(C)C

DOS

IR

Vibrations