Geometry & MOs

Info

ID:	28475
PubChem CID:	827817
Reduced:	NO2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	333.12774
ΔH_f, kcal/mol:	-88.37
Dipole, Da:	3.94
IP(EA), eV:	-9.32(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-3-(2-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(=O)NN2C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)C=C4

DOS

IR

Vibrations