Geometry & MOs

Info

ID:	45781
PubChem CID:	10517604
Reduced:	ON4H14C17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	290.116761
ΔH_f, kcal/mol:	76.5
Dipole, Da:	6.54
IP(EA), eV:	-8.5(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-(5-methyl-2,4-dihydro-1H-[1,2,4]triazino[6,5-b]quinolin-3-ylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=O)C(NN2)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations