Geometry & MOs

Info

ID:	194100
PubChem CID:	78483285
Reduced:	O3N4C21H23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	342.064544
ΔH_f, kcal/mol:	-19.51
Dipole, Da:	6.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.100207
Charge, e:	-1

Chem-info

IUPAC name:

2-chloro-5-[2-(1-ethyl-2-oxoindol-3-ylidene)hydrazinyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NN=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCOCC4

DOS

IR

Vibrations