Geometry & MOs

Info

ID:	184816
PubChem CID:	77212704
Reduced:	ON2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	429.216475
ΔH_f, kcal/mol:	-15.78
Dipole, Da:	3.94
IP(EA), eV:	-8.87(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1H-indol-2-yl)ethyl]-N-methyl-3-(8-oxo-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CCC2=C(N=NC(=O)C2C1)CC(=O)NCCN3C=CC=C3

DOS

IR

Vibrations