Geometry & MOs

Info

ID:	177690
PubChem CID:	76218048
Reduced:	ClNO4H10C13 (1)
Stoich.:	ABC4D10E13 (1)
Weight, g/mol:	259.084458
ΔH_f, kcal/mol:	-118.97
Dipole, Da:	6.0
IP(EA), eV:	-9.57(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(5-methyl-2,3-dioxoindol-1-yl)but-2-enoic acid

Drug info:

PubChemData

Smile

CC(=CC(=O)O)CN1C2=C(C=C(C=C2)Cl)C(=O)C1=O

DOS

IR

Vibrations