Geometry & MOs

Info

ID:	128450
PubChem CID:	51044658
Reduced:	ON3C9H12 (2)
Stoich.:	AB3C9D12 (2)
Weight, g/mol:	245.03559
ΔH_f, kcal/mol:	-20.34
Dipole, Da:	3.2
IP(EA), eV:	-8.33(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-chloro-1H-indol-3-yl)-2-cyanoprop-2-enamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)NC(=O)CC2(CCCCC2)CN3C=NN=N3

DOS

IR

Vibrations