Geometry & MOs

Info

ID:	80801
PubChem CID:	49845858
Reduced:	TlO4C18H19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	364.096026
ΔH_f, kcal/mol:	-19.62
Dipole, Da:	9.03
IP(EA), eV:	-5.82(-3.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(3-oxo-1H-pyrrolo[2,3-b]quinolin-2-ylidene)-1H-pyrrolo[2,3-b]quinolin-3-one

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=CC=C1C(=O)OCCCC[C]2[CH][CH][CH][CH]2.[Tl+]

DOS

IR

Vibrations