Geometry & MOs

Info

ID:	61575
PubChem CID:	26710674
Reduced:	ON2C12H16 (2)
Stoich.:	AB2C12D16 (2)
Weight, g/mol:	308.132491
ΔH_f, kcal/mol:	-94.0
Dipole, Da:	5.03
IP(EA), eV:	-8.69(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)NCCC4=CNC5=CC=CC=C54

DOS

IR

Vibrations