Geometry & MOs

Info

ID:	28112
PubChem CID:	825632
Reduced:	BrON6H11C13 (1)
Stoich.:	ABC6D11E13 (1)
Weight, g/mol:	292.084792
ΔH_f, kcal/mol:	108.82
Dipole, Da:	8.64
IP(EA), eV:	-9.38(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(2-oxoindol-3-yl)amino]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)Br)C=NN3C=NN=C3

DOS

IR

Vibrations