Geometry & MOs

Info

ID:	56058
PubChem CID:	17404105
Reduced:	ClNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	259.05124
ΔH_f, kcal/mol:	-69.84
Dipole, Da:	4.81
IP(EA), eV:	-8.42(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-5-chloro-3-[(1-methylpyrazol-4-yl)methylidene]-1H-indol-2-one

Drug info:

PubChemData

Smile

CC1CC1C(=O)NC2=C(C=C(C(=C2)C)Cl)OC

DOS

IR

Vibrations