Geometry & MOs

Info

ID:	80941
PubChem CID:	49853978
Reduced:	ClSO3N4C28H33 (1)
Stoich.:	ABC3D4E28F33 (1)
Weight, g/mol:	345.122575
ΔH_f, kcal/mol:	-82.65
Dipole, Da:	4.16
IP(EA), eV:	-8.45(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-quinolin-2-yl-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

CCC(C)(C)C(=O)OCN1C(=O)CC2=CC(=C(C=C21)Cl)CCN3CCN(CC3)C4=NSC5=CC=CC=C54

DOS

IR

Vibrations