Geometry & MOs

Info

ID:	268195
PubChem CID:	103598327
Reduced:	ON3C23H29 (1)
Stoich.:	AB3C23D29 (1)
Weight, g/mol:	364.189926
ΔH_f, kcal/mol:	12.55
Dipole, Da:	3.74
IP(EA), eV:	-8.7(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2-cyanoethyl)indol-3-yl]-N-(2-oxo-2-piperidin-1-ylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1CNC(=O)C=CC2=CC=CC=N2)C3CCCCC3

DOS

IR

Vibrations